ChemSpider 2D Image | Methyl (2E)-2-cyano-3-(ethylsulfanyl)-3-(methylsulfanyl)acrylate | C8H11NO2S2

Methyl (2E)-2-cyano-3-(ethylsulfanyl)-3-(methylsulfanyl)acrylate

  • Molecular FormulaC8H11NO2S2
  • Average mass217.308 Da
  • Monoisotopic mass217.023117 Da
  • ChemSpider ID62854282

More details:

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

(2E)-2-Cyano-3-(éthylsulfanyl)-3-(méthylsulfanyl)acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-(ethylthio)-3-(methylthio)-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-2-cyano-3-(ethylsulfanyl)-3-(methylsulfanyl)acrylate [ACD/IUPAC Name]
Methyl-(2E)-2-cyan-3-(ethylsulfanyl)-3-(methylsulfanyl)acrylat [German] [ACD/IUPAC Name]
121635-47-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 315.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 144.7±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.37
ACD/KOC (pH 5.5): 290.33
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.37
ACD/KOC (pH 7.4): 290.33
Polar Surface Area: 101 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 178.6±3.0 cm3

Click to predict properties on the Chemicalize site


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