[ CAS No. 185137-29-5 ] {[proInfo.proName]}

Name: 185137-29-5|(S)-4-Phenylthiazolidine-2-thione|98%
Brand: Ambeed
SKU: A227326
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Quality Control of [ 185137-29-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 185137-29-5 ]

SDS Specification

Alternatived Products of [ 185137-29-5 ]

Product Details of [ 185137-29-5 ]

CAS No. :	185137-29-5	MDL No. :	MFCD06658214
Formula :	C₉H₉NS₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IEXSISKCCADMLK-MRVPVSSYSA-N
M.W :	195.30	Pubchem ID :	11333042
Synonyms :

Calculated chemistry of [ 185137-29-5 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.22
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	61.01
TPSA :	69.42 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.03
Log Po/w (XLOGP3) :	2.39
Log Po/w (WLOGP) :	1.64
Log Po/w (MLOGP) :	1.71
Log Po/w (SILICOS-IT) :	3.61
Consensus Log Po/w :	2.28

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.86
Solubility :	0.269 mg/ml ; 0.00138 mol/l
Class :	Soluble
Log S (Ali) :	-3.49
Solubility :	0.0633 mg/ml ; 0.000324 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.25
Solubility :	0.109 mg/ml ; 0.000556 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.67

Safety of [ 185137-29-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 185137-29-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 185137-29-5 ]

[ 185137-29-5 ] Synthesis Path-Downstream 1~54

1
[ 20989-17-7 ]
[ 140-89-6 ]
[ 185137-29-5 ]
[ 190970-57-1 ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

2
[ 20260-53-1 ]
[ 185137-29-5 ]
[ 230309-03-2 ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

3
[ 185137-29-5 ]
(S)-4-phenyl-1,3-thiazolidin-2-one [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2011,vol. 186,p. 1563 - 1571
[2]Journal of Molecular Structure,2005,vol. 737,p. 277 - 282

4
[ 40140-09-8 ]
[ 185137-29-5 ]
[ 861224-12-6 ]

Reference： [1]Synlett,2005,p. 1477 - 1479

5
[ 185137-29-5 ]
(S)-2-((R)-1-Hydroxy-tridecyl)-1-((S)-4-phenyl-2-thioxo-thiazolidin-3-yl)-icosan-1-one [ No CAS ]

Reference： [1]Synlett,2005,p. 1477 - 1479

6
[ 185137-29-5 ]
2-methyl-5-(4-phenyl-2-thioxo-thiazolidine-3-carbonyl)-2<i>H</i>-pyridine-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

7
[ 185137-29-5 ]
(4S,4'S)-4-methyl-3-(4'-phenyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

8
[ 185137-29-5 ]
(4R,4'S)-4-methyl-3-(4'-phenyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

9
[ 185137-29-5 ]
2-phenyl-5-(4-phenyl-2-thioxo-thiazolidine-3-carbonyl)-2<i>H</i>-pyridine-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

10
[ 185137-29-5 ]
(4R,4'S)-4-phenyl-3-(4'-phenyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

11
[ 185137-29-5 ]
(4S,4'S)-4-phenyl-3-(4'-phenyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

12
[ 185137-29-5 ]
(4R,4'S)-4-benzyl-3-(4'-phenyl-2'-thioxo-1',3'-thiazolidine-3'-carbonyl)-4H-pyridine-1-carboxylic acid methyl ester [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

13
[ 185137-29-5 ]
[ 230309-12-3 ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

14
[ 185137-29-5 ]
(4R,4'S)-(1-benzoyl-4-phenyl-1,4-dihydropyridin-3-yl)-(4'-phenyl-2'-thioxo-1',3'-thiazolidine-3'-yl)methanone [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

15
[ 185137-29-5 ]
[ 401613-72-7 ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

16
[ 185137-29-5 ]
1-Methoxycarbonyl-3-((S)-4-phenyl-2-thioxo-thiazolidine-3-carbonyl)-pyridinium; chloride [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

17
[ 185137-29-5 ]
1-Benzoyl-3-((S)-4-phenyl-2-thioxo-thiazolidine-3-carbonyl)-pyridinium; chloride [ No CAS ]

Reference： [1]Tetrahedron,2001,vol. 57,p. 8939 - 8949

19
[ 75-09-2 ]
[ 20989-17-7 ]
[ 185137-29-5 ]

Yield	Reaction Conditions	Operation in experiment
9%	With carbon disulfide; In potassium hydroxide; hexane; water;	a. 4-(S)-Phenyl-thiazolidine-2-thione To a solution of (S)-(+)-2-Phenylglycinol(1.40 g, 10 mmol) in 1N KOH/H2 O (10 ml) at room temperature, was added carbon disulfide (3 ml, 50 mmol). The resulting solution was heated by a pre-heated oil-bath (110 C.) to reflux for 20 h after which the reaction mixture was cooled to room temperature and extracted with CH2 Cl2 (3*30 ml), dried over Na2 SO4. The solvent was removed in vacuo and the residue was purified by column chromatography over silica gel with 1:1 hexane/CH2 Cl2 followed by CH2 Cl2 as the eluding system (Rf =0.09, CH2 Cl2:hexane=7:3) to obtain 4(S)-phenyl-thiazolidine-2-thione (170 mg, 9%).

Reference： [1]Patent: US6159990,2000,A

20
[ 75-09-2 ]
[ 7693-46-1 ]
[ 185137-29-5 ]
4-phenyl-2-thioxo-thiazolidine-3-carboxylic acid [3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-propyl]-amide [ No CAS ]
4-(S)-Phenyl-2-thione-thiazolidine-3-carboxylic acid-4-nitro-phenyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
64%	With NaH; In tetrahydrofuran; hexane;	b. 4-(S)-Phenyl-2-thione-thiazolidine-3-carboxylic acid-4-nitro-phenyl ester To a suspension of NaH (26 mg, 1.04 mmol) in 10 mL of anhydrous THF under argon, a solution of 4(S)-Phenyl-thiazolidine-2-thione (170 mg, 0.87 mmol) in THF was added dropwise via an dropping funnel. The resulting suspension was stirred at room temperature for 30 min. This suspension was then added dropwise via cannula into another round bottom flask containing a solution of 4-nitrophenylchloroformate (217 mg, 1.04 mmol) in 20 mL of THF and cooled at -78 C. over a period of 15 min. The stirring was continued for 2 h after which the solvent was removed and the residue was purified by column chromatography on silica gel with 1:1 hexane/CH2 Cl2 then 3:7 hexane/CH2 Cl2 followed by CH2 Cl2 (Rf =0.50) to obtain (+)-4(S)-phenyl-2-thione-thiazolidine-3-carboxylic acid-4-nitro-phenyl ester as a pale yellow solid (200 mg, 64%).

Reference： [1]Patent: US6159990,2000,A

21
[ 75-15-0 ]
[ 20989-17-7 ]
[ 185137-29-5 ]

Reference： [1]European Journal of Organic Chemistry,2009,p. 5841 - 5846
[2]Tetrahedron,2008,vol. 64,p. 5637 - 5644
[3]Journal of Medicinal Chemistry,2013,vol. 56,p. 6156 - 6174
[4]Phosphorus, Sulfur and Silicon and the Related Elements,2015,vol. 190,p. 112 - 122

22
[ 79-03-8 ]
[ 185137-29-5 ]
[ 1039757-81-7 ]

Yield	Reaction Conditions	Operation in experiment
98%	With sodium hydride; In tetrahydrofuran; mineral oil; at 78℃;Inert atmosphere;	General procedure: Under N2 atmosphere, NaH (120 mg, 60% dispersion in mineral oil, 3 mmol)was added to a solution of thiazolidine-2-thione 2 (2.5 mmol) in 5 mL of THF and the resulting solution was cooled to 78C by a dry-ice-acetone bath. Propionyl chloride(255 mg, 2.5 mmol, 480 muL) was then dropped in. After removal of the solvent in vacuo,the residue was purified by column chromatography with a mixture of petroleum ether(60-90C)/EtOAc (5:1, v/v) as eluent.

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2015,vol. 190,p. 112 - 122
[2]Tetrahedron,2008,vol. 64,p. 5637 - 5644

23
[ 75-15-0 ]
[ 25260-42-8 ]
[ 1202800-98-3 ]
[ 185137-29-5 ]

Reference： [1]European Journal of Organic Chemistry,2009,p. 5841 - 5846

24
[ 185137-29-5 ]
(S)-2-amino-2-phenylethanesulfonic acid [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2009,p. 5841 - 5846

25
[ 540-51-2 ]
[ 185137-29-5 ]
[ 1332631-06-7 ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2011,vol. 186,p. 1563 - 1571

26
[ 540-51-2 ]
[ 185137-29-5 ]
[ 1332631-10-3 ]
[ 1332631-06-7 ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2011,vol. 186,p. 1563 - 1571

27
[ 540-51-2 ]
[ 185137-29-5 ]
[ 1332631-10-3 ]
[ 1332631-06-7 ]
(S)-4-phenyl-1,3-thiazolidin-2-one [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2011,vol. 186,p. 1563 - 1571

28
[ 75-15-0 ]
(S)-phenylglycinol sulfate [ No CAS ]
[ 185137-29-5 ]

Yield	Reaction Conditions	Operation in experiment
91%	With potassium hydroxide; In water; at 80℃; for 3.5h;	General procedure: Under the mechanical stirring, chlorosulfonic acid (0.4 mL, 0.7 g, 12 mmol) was added dropwise to a solution of amino alcohol (5 mmol) in anhydrous acetonitrile (25-50 mL) in an ice-water bath. The resulting mixture was stirred for 1 h. The precipitates were filtrated and washed with ethanol twice and diethyl ether twice to afford solid amino alcohol hydrogen sulfate 5, which was further purified via recrystallization from ethanol.CommentTo a mixture of the prepared amino alcohol hydrogen sulfate (1 mmol) and carbon disulfide (0.25 mL, 0.31 g, 4 mmol) was added 0.65 mL of 6.2 mol/L KOH aqueous solution. The resulting solution was refluxed at 80 C in an oil bath for 3.5 h. After cooling to room temperature, to the reaction mixture was added 10 mL of water and then was extracted with dichloromethane (3×10 mL). The combined organic layer was dried over Na2SO4. Removal of the solvent thoroughly under reduced pressure gave a crude product. After purified via recrystallization or via silica gel column chromatography eluented with petroleum ether (60-90 C)/ethyl acetate (2:1, v/v), colorless crystals were obtained.

Reference： [1]Tetrahedron,2011,vol. 67,p. 7971 - 7976

29
[ 20989-17-7 ]
[ 185137-29-5 ]

Reference： [1]Tetrahedron,2011,vol. 67,p. 7971 - 7976

30
[ 1383790-21-3 ]
[ 185137-29-5 ]
[ 1383790-23-5 ]

Reference： [1]Organic Letters,2012,vol. 14,p. 3514 - 3517

31
[ 625-35-4 ]
[ 185137-29-5 ]
[ 1383790-21-3 ]

Reference： [1]Organic Letters,2012,vol. 14,p. 3514 - 3517

32
[ 185137-29-5 ]
[ 1383790-23-5 ]

Reference： [1]Organic Letters,2012,vol. 14,p. 3514 - 3517

33
[ 1908-90-3 ]
[ 1468-39-9 ]
[ 1402942-16-8 ]
[ 1435664-99-5 ]
[ 110199-18-3 ]
[ 185137-29-5 ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 17605 - 17612

34
[ 1383790-21-3 ]
[ 185137-29-5 ]
C₂₂H₂₂N₂O₂S₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With triethylamine; In dichloromethane;Inert atmosphere; Reflux;	General procedure: To a mixture of N-crotonyl oxazolidinone 7 (100 mg, 0.43 mmol) and 4-phenyl-2-oxazolidine-2-thione 4 (77.1 mg, 0.43 mmol) in dichloromethane (5.0 mL) was added triethylamine (131.2 mg, 1.29 mmol) at room temperature. The resulting mixture was stirred and heated to reflux overnight. After cooling to room temperature, water (10 mL) was added and the reaction mixture was extracted with CH2Cl2 (3 x 7 mL) The organic layer was dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford crude Michael addition product. The crude residue was purified by silica gel flash column chromatography.

Reference： [1]Tetrahedron Letters,2013,vol. 54,p. 1230 - 1232

35
[ 100-52-7 ]
[ 185137-29-5 ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 5104 - 5111
[2]Tetrahedron,2013,vol. 69,p. 5104 - 5111

36
[ 137102-30-8 ]
[ 185137-29-5 ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 5104 - 5111

37
[ 62779-70-8 ]
[ 185137-29-5 ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 5104 - 5111

38
[ 75-15-0 ]
C₈H₁₀IN [ No CAS ]
[ 185137-29-5 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dimethyl sulfoxide; at 100℃; for 2h;Irradiation;	According to the reported methods3: A solution of nitro compound 1a (5.0 mmol, 1.3 g, 89% ee), sodium notrite (700 mg, 10 mmol), and acetic acid (50 mmol) in DMSO (30 mL) was heated at 40 oC for 1d. After cooling at RT, 1.0 M HCl (50 mL) was added and the aqueous phase was extracted with DCM, dried over MgSO4, and concentrated under reduced pressure. The crude product was purified by flash column chromatography, then the product was dissolved into DCM and added TFA, the mixture was stirred for 24h, then sat.aq. Na2CO3 was added and until pH = 9, the aqueous layer was extracted with DCM, then the combined organic phase was dried over Na2SO4, filtered and concentrated under reduced pressure. The crude product was dissolved in a solution of THF/NaBH4(3 equiv.), then a mixture of I2 in THF was added portionwise over 1h at 0oC, when finished, the solution was refluxed for 18h, then cooled to RT., Methanol and aqueous NaOH (20%) was added, and extraced by DCM, dried over Na2SO4, filtered and concentrated under reduced pressure. The crude product, Et3N(2.5 equiv.), CS2(3 equiv.) and DMSO were placed into a reaction vessel, then warmed to 100 oC and irradated by 40 W of power for 2h, when the reaction was completed, water were added and the resulting mixture extracted with EtOAc, and dried over Na2SO4, and concerntrated, then purified by a silica gel chromatographic column to afford 5.

Reference： [1]Tetrahedron,2013,vol. 69,p. 5104 - 5111

39
[ 150884-50-7 ]
[ 185137-29-5 ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 5104 - 5111

40
tert-butyl (1S)-2-nitro-1-phenylethylcarbamate [ No CAS ]
[ 185137-29-5 ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 5104 - 5111

41
[ 155396-71-7 ]
[ 185137-29-5 ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 5104 - 5111
[2]Tetrahedron,2013,vol. 69,p. 5104 - 5111

42
[ 1435664-91-7 ]
[ 1435664-99-5 ]
[ 185137-29-5 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 2790 - 2793

43
[ 1435664-93-9 ]
[ 1217320-19-8 ]
[ 185137-29-5 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 2790 - 2793

44
[ 1448350-60-4 ]
[ 185137-29-5 ]
[ 1448350-64-8 ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 6156 - 6174

45
[ 75-36-5 ]
[ 185137-29-5 ]
(S)-1-(4-phenyl-2-thioxothiazolidin-3-yl)ethan-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%		General procedure: To thiazolidine-2-thiones (1.0 equiv.) in THF (5.5 mL/mmol), 60% NaH dispersion in mineral oil (1.2 equiv.)was slowly added at 0 C. The reaction mixture was stirred for 15 min at 0 C before acetyl chloride (1.2 equiv.)was added dropwise. The reaction mixture was stirred for 30 min at 0 C, upon which it was warmed to roomtemperature and allowed to stir for another 2 h. The reaction was quenched with saturated NH4Cl (3 mL/mmol)and the layers were separated. The aq. layer was extracted with EtOAc (2 x 4 mL/mmol) and the combinedorganic layers were dried (Na2SO4),filtered, and concentrated in vacuo. The crude product was purified bycolumn chromatography on silica (hexanes/EtOAc 8:2) to afford the title compounds as yellow oils.

Reference： [1]Organic and Biomolecular Chemistry,2014,vol. 12,p. 432 - 437
[2]Tetrahedron Letters,2015,vol. 56,p. 1843 - 1846

46
[ 185137-29-5 ]
(R,4E,6E)-7-bromo-3-hydroxy-1-((S)-4-phenyl-2-thioxothiazolidin-3-yl)hepta-4,6-dien-1-one [ No CAS ]
(S,4E,6E)-7-bromo-3-hydroxy-1-((S)-4-phenyl-2-thioxothiazolidin-3-yl)hepta-4,6-dien-1-one [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2014,vol. 12,p. 432 - 437
[2]Tetrahedron Letters,2015,vol. 56,p. 1843 - 1846

47
[ 185137-29-5 ]
(S)-N-(4-chlorophenyl)-4-phenyl-2-thioxothiazolidine-3-carboxamide [ No CAS ]

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2015,vol. 190,p. 112 - 122

48
[ 100-44-7 ]
[ 185137-29-5 ]
(S)-2-(benzylthio)-4-phenyl-4,5-dihydro-1,3-thiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
92%	With potassium carbonate; triethylamine; In acetone;Reflux;	General procedure: Thiazolidine-2-thione 2 (2.5 mmol), benzyl chloride (317 mg, 2.5 mmol), and K2CO3(691 mg, 5 mmol) were dissolved in 10 mL of acetone. The resulting solution was refluxedfor 2-4 h under TLC monitoring and then was allowed to cool to r.t. and filtered. Afterremoval of the solvent, the crude product was obtained and purified by silica-gel columnchromatography with a mixture of petroleum ether and EtOAc (10:1, v/v) as eluent.

Reference： [1]Phosphorus, Sulfur and Silicon and the Related Elements,2015,vol. 190,p. 112 - 122

49
[ 1908-90-3 ]
[ 110199-18-3 ]
[ 185137-29-5 ]

Reference： [1]Chirality,2018,vol. 30,p. 74 - 84

50
[ 802294-64-0 ]
[ 185137-29-5 ]
[ 1039757-81-7 ]

Yield	Reaction Conditions	Operation in experiment
95.6%	With 2-chloro-1-methylpyridinium p-toluenesulfonate; triethylamine; In dichloromethane; at 25℃; for 5h;	Add 1000 ml of dichloromethane and 500 ml (3.6 mol) of triethylamine to a 5-liter four-necked flask.Phenylthiooxazolidinone 195g (1mol), propionic acid 80g (1.1mol),Add 1000g (1mol) of 2-chloropyridine p-toluenesulfonic acid methyl salt to 1000mlThe dichloromethane solution was added and stirred at 25 C for 5 hours.TLC showed complete reaction, adding water to extract the reaction, followed by water,Saturated brine, the organic phase was washed with anhydrous sodium sulfate and concentrated.Recrystallization gave 240 g of product with a yield of 95.6%.HPLC purity >99%.

Reference： [1]Patent: CN109020913,2018,A .Location in patent: Paragraph 0028; 0029; 0030; 0042

51
[ 18523-48-3 ]
[ 185137-29-5 ]
C₁₁H₁₀N₄OS₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
94.2%	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20℃; for 1.5h;	The compound of formula (XI) (4.8 g, 25 mmol) was added to a 250 mL round bottom flask at 0 C.Azidoacetic acid (3g,30mmol),Dicyclohexylcarbodiimide (5.7 g, 27 mmol),4-dimethylaminopyridine (370 mg, 3.0 mmol),Dichloromethane100mL, after 30min, rise to room temperature,After 1 h of reaction, the silica gel was filtered.Wash with cyclohexane: ethyl acetate = 7:3,Concentrated crude liquid,Then, it was recrystallized from dichloromethane/petroleum ether to give the product 6.5 g, yield 94.2%.

Reference： [1]Patent: CN108822072,2018,A .Location in patent: Paragraph 0053; 0054

52
[ 52462-29-0 ]
[ 185137-29-5 ]
C₁₉H₂₃Cl₂NRuS₂ [ No CAS ]

Reference： [1]Applied Organometallic Chemistry,2019,vol. 33

53
[ 34375-80-9 ]
[ 185137-29-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: nickel diacetate; (+)-1,2-bis((2S,5S)-2,5-diphenylphospholanyl)ethane; hydrogen / 2,2,2-trifluoroethanol / 12 h / 50 °C / 760.05 Torr 2: tetraphosphorus decasulfide / toluene / Reflux
	Multi-step reaction with 2 steps 1: nickel diacetate; hydrogen; 1,2-bis((2S,5S)-2,5-dimethylphospholano)benzene / 2,2,2-trifluoroethanol / 80 h / 80 °C / 53203.6 Torr 2: tetraphosphorus decasulfide / toluene / Reflux

Reference： [1]Dong, Xiu-Qin; Liu, Yuanhua; Wang, Heng; Wang, Minyan; Yang, Xuanliang; Yi, Zhiyuan; Yin, Congcong; Zhang, Xumu [ACS Catalysis, 2020, vol. 10, # 19, p. 11153 - 11161]
[2]Dong, Xiu-Qin; Liu, Yuanhua; Wang, Heng; Wang, Minyan; Yang, Xuanliang; Yi, Zhiyuan; Yin, Congcong; Zhang, Xumu [ACS Catalysis, 2020, vol. 10, # 19, p. 11153 - 11161]

54
[ 99395-88-7 ]
[ 185137-29-5 ]

Yield	Reaction Conditions	Operation in experiment
61%	With tetraphosphorus decasulfide In toluene Reflux;

Reference： [1]Dong, Xiu-Qin; Liu, Yuanhua; Wang, Heng; Wang, Minyan; Yang, Xuanliang; Yi, Zhiyuan; Yin, Congcong; Zhang, Xumu [ACS Catalysis, 2020, vol. 10, # 19, p. 11153 - 11161]

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[ 185137-29-5 ]

Thiazolidines

[ 110199-17-2 ]

(R)-4-Benzylthiazolidine-2-thione

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[ 171877-39-7 ]

(S)-4-Benzylthiazolidine-2-thione

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[ 63615-85-0 ]

4-Phenylthiazolidin-2-one

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 185137-29-5 ] {[proInfo.proName]}

Quality Control of [ 185137-29-5 ]

Related Doc. of [ 185137-29-5 ]

Product Details of [ 185137-29-5 ]

Calculated chemistry of [ 185137-29-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 185137-29-5 ]

Application In Synthesis of [ 185137-29-5 ]

[ 185137-29-5 ] Synthesis Path-Downstream 1~54

Related Functional Groups of [ 185137-29-5 ]

Aryls

Amides

Related Parent Nucleus of [ 185137-29-5 ]

Thiazolidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 185137-29-5 ]

Related Parent Nucleus of
[ 185137-29-5 ]