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[ CAS No. 19607-08-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19607-08-0
Chemical Structure| 19607-08-0
Structure of 19607-08-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 19607-08-0 ]

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Alternatived Products of [ 19607-08-0 ]

Product Details of [ 19607-08-0 ]

CAS No. :19607-08-0 MDL No. :MFCD00085113
Formula : C8H12O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :RYTQSXPVBDGXEW-UHFFFAOYSA-N
M.W : 236.31 Pubchem ID :2774927
Synonyms :

Calculated chemistry of [ 19607-08-0 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.85
TPSA : 103.2 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.68
Log Po/w (XLOGP3) : 1.78
Log Po/w (WLOGP) : 1.27
Log Po/w (MLOGP) : 0.84
Log Po/w (SILICOS-IT) : 1.05
Consensus Log Po/w : 1.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.03
Solubility : 2.2 mg/ml ; 0.00932 mol/l
Class : Soluble
Log S (Ali) : -3.57
Solubility : 0.0643 mg/ml ; 0.000272 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.13
Solubility : 17.7 mg/ml ; 0.0748 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 4.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.63

Safety of [ 19607-08-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 19607-08-0 ]

* 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 [ 19607-08-0 ]

[ 19607-08-0 ] Synthesis Path-Downstream   1~93

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YieldReaction ConditionsOperation in experiment
26.92 g 15.14 g of sodium hydride (60%)N, N-dimethylformamide (dehydrated), Suspended in 200 ml of N, N-dimethylformamide (dehydrated) with 20 g of dimethylmalonate (56) under ice-15 ml solution was added dropwise. After stirring for 15 minutes under ice cooling,Carbon disulfide 28.81 g of N, N-dimethylformamide(Dehydrated) 15 ml solution was added dropwise. The temperature was gradually raised to room temperature and stirred at room temperature for 1 hour. after that,Methyl iodide 64.46 g of N, N-dimethylformamide(Dehydrated) 15 ml solution was added dropwise,And the mixture was stirred at room temperature for 14 hours. After completion of the reaction,Poured into water and extracted twice with diethyl ether.The organic layers were combined, washed three times with water,After washing once with saturated brine,It was dried over anhydrous magnesium sulfate,The solvent was distilled off under reduced pressure. The precipitated crystals were collected by filtration,Washed and filtered using a mixed solvent of hexane and diethyl ether to obtain dimethyl [bis (methylsulfanyl)Methylidene] propionate (57)26.92 gWas obtained.
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  • C14H13N3O3S [ No CAS ]
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  • 4,5-dihydro-4-(methoxycarbonyl)-1,1-dimethyl-3-(methylthio)-5-oxo-1H-pyrazol-1-ium-4-id [ No CAS ]
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  • 3-Hydroxy-5-methylsulfanyl-thiophene-2,4-dicarboxylic acid 2-ethyl ester 4-methyl ester [ No CAS ]
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  • 3,3''-Dichloro-4,4''-difluoro-5'-methylsulfanyl-[1,1';3',1'']terphenyl-4'-carboxylic acid methyl ester [ No CAS ]
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  • 4,4''-Difluoro-5'-methylsulfanyl-[1,1';3',1'']terphenyl-4'-carboxylic acid methyl ester [ No CAS ]
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  • 4,4''-Dichloro-5'-methylsulfanyl-[1,1';3',1'']terphenyl-4'-carboxylic acid methyl ester [ No CAS ]
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  • 4,4''-Dibromo-5'-methylsulfanyl-[1,1';3',1'']terphenyl-4'-carboxylic acid methyl ester [ No CAS ]
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  • methyl 4-methylsulfanyl-2-oxo-6-(phenanthren-2-yl)-2H-pyran-3-carboxylate [ No CAS ]
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  • C13H10FNO3S [ No CAS ]
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  • C13H10ClNO3S [ No CAS ]
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  • C13H10BrNO3S [ No CAS ]
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  • C14H13NO3S [ No CAS ]
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  • C14H13NO4S [ No CAS ]
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  • C11H9NO3S2 [ No CAS ]
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  • C12H10N2O3S [ No CAS ]
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  • 4-methylsulfanyl-6-(naphthalen-1-yl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid [ No CAS ]
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  • methyl 6-(4-chlorophenyl)-4-methylsulfanylnicotinate [ No CAS ]
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  • methyl 6-(4-bromophenyl)-4-methylsulfanylnicotinate [ No CAS ]
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  • 4-methanesulfonyl-6-(naphthalen-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid [ No CAS ]
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  • 4-(2-Methoxy-phenylamino)-6-oxo-2-phenyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester [ No CAS ]
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Same Skeleton Products
Historical Records

Related Functional Groups of
[ 19607-08-0 ]

Alkenes

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Diethyl 2-(bis(methylthio)methylene)malonate

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Aliphatic Chain Hydrocarbons

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Esters

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Chemical Structure| 19607-41-1

[ 19607-41-1 ]

Diethyl 2-(1,3-dithiolan-2-ylidene)malonate

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Chemical Structure| 52298-01-8

[ 52298-01-8 ]

Dipropyl 2-(1,3-dithiolan-2-ylidene)malonate

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Diethyl 2-(bis(methylthio)methylene)malonate

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Diethyl 2-(1,3-dithiolan-2-ylidene)malonate

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Sulfides

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