ChemSpider 2D Image | SL-327 | C16H12F3N3S

SL-327

  • Molecular FormulaC16H12F3N3S
  • Average mass335.347 Da
  • Monoisotopic mass335.070404 Da
  • ChemSpider ID21465186

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

305350-87-2 [RN]
3-Amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluormethyl)phenyl]acrylonitril [German] [ACD/IUPAC Name]
3-Amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]acrylonitrile [ACD/IUPAC Name]
3-Amino-3-[(4-aminophényl)sulfanyl]-2-[2-(trifluorométhyl)phényl]acrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[amino[(4-aminophenyl)thio]methylene]-2-(trifluoromethyl)- [ACD/Index Name]
SL-327
3-Amino-3-((4-aminophenyl)thio)-2-(2-(trifluoromethyl)phenyl)acrylonitrile
3-amino-3-[(4-aminophenyl)thio]-2-[2-(trifluoromethyl)phenyl]-2-propenenitrile
BS-16906
MEK1/2 Inhibitor and SL327
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  • Miscellaneous

    • Chemical Class:

      A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an <ital>o</ital>-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. ChEBI CHEBI:92211
      A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethen yl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. ChEBI CHEBI:92211
      A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens; of the eth enyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:92211

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 512.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 85.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.99
ACD/KOC (pH 5.5): 930.58
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 100.03
ACD/KOC (pH 7.4): 940.33
Polar Surface Area: 101 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 238.6±5.0 cm3

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