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[ CAS No. 27757-85-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 27757-85-3
Chemical Structure| 27757-85-3
Chemical Structure| 27757-85-3
Structure of 27757-85-3 * Storage: {[proInfo.prStorage]}
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Product Citations

Product Citations

Robert Kawȩcki ; DOI: PubMed ID:

Abstract: N-Sulfenylimines (sulfenimines, thiooximes, N-alkylidenesulfenamides) were efficiently synthesized through the reaction of primary amines and disulfides with NBS or bromine. This reaction can be carried out in an open flask at room temperature without the need for any transition-metal-containing additives. The use of thiols instead of disulfides gave similar results. A wide range of amines were reacted with aryl and alkyldisulfides, resulting in the formation of sulfenimines in a yield of 44–99%.

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Product Details of [ 27757-85-3 ]

CAS No. :27757-85-3 MDL No. :MFCD00005460
Formula : C5H7NS Boiling Point : -
Linear Structure Formula :H2NCH2C4H3S InChI Key :FKKJJPMGAWGYPN-UHFFFAOYSA-N
M.W : 113.18 Pubchem ID :34005
Synonyms :

Calculated chemistry of [ 27757-85-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.2
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 31.99
TPSA : 54.26 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.4
Log Po/w (XLOGP3) : 0.61
Log Po/w (WLOGP) : 1.05
Log Po/w (MLOGP) : 0.46
Log Po/w (SILICOS-IT) : 2.18
Consensus Log Po/w : 1.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.39
Solubility : 4.63 mg/ml ; 0.0409 mol/l
Class : Very soluble
Log S (Ali) : -1.32
Solubility : 5.37 mg/ml ; 0.0475 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.65
Solubility : 2.52 mg/ml ; 0.0222 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.61

Safety of [ 27757-85-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P264-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P233-P501 UN#:2735
Hazard Statements:H227-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 27757-85-3 ]

* 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.

  • Upstream synthesis route of [ 27757-85-3 ]
  • Downstream synthetic route of [ 27757-85-3 ]

[ 27757-85-3 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 27757-85-3 ]
  • [ 58255-18-8 ]
Reference: [1] Patent: CN103664930, 2016, B,
[2] Organic and Biomolecular Chemistry, 2017, vol. 15, # 16, p. 3507 - 3518
  • 2
  • [ 27757-85-3 ]
  • [ 67-56-1 ]
  • [ 58255-18-8 ]
  • [ 26019-17-0 ]
Reference: [1] Angewandte Chemie - International Edition, 2018, vol. 57, # 21, p. 6166 - 6170[2] Angew. Chem., 2018, vol. 130, p. 6274 - 6278,5
  • 3
  • [ 909394-40-7 ]
  • [ 27757-85-3 ]
  • [ 45644-21-1 ]
Reference: [1] Monatshefte fur Chemie, 2006, vol. 137, # 3, p. 285 - 299
  • 4
  • [ 27757-85-3 ]
  • [ 214759-22-5 ]
Reference: [1] Journal of Medicinal Chemistry, 2016, vol. 59, # 7, p. 3471 - 3488
[2] Patent: WO2015/61426, 2015, A1,
[3] Patent: TW2018/28950, 2018, A,
  • 5
  • [ 27757-85-3 ]
  • [ 548772-41-4 ]
Reference: [1] Synthesis, 2003, # 3, p. 403 - 407
  • 6
  • [ 27757-85-3 ]
  • [ 1001414-56-7 ]
Reference: [1] Patent: WO2008/5457, 2008, A2,
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