ChemSpider 2D Image | Ethyl (2Z)-2-cyano-3-(methylsulfanyl)-3-(methylsulfinyl)acrylate | C8H11NO3S2

Ethyl (2Z)-2-cyano-3-(methylsulfanyl)-3-(methylsulfinyl)acrylate

  • Molecular FormulaC8H11NO3S2
  • Average mass233.308 Da
  • Monoisotopic mass233.018036 Da
  • ChemSpider ID21187258

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyano-3-(méthylsulfanyl)-3-(méthylsulfinyl)acrylate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-(methylsulfinyl)-3-(methylthio)-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-cyano-3-(methylsulfanyl)-3-(methylsulfinyl)acrylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-cyan-3-(methylsulfanyl)-3-(methylsulfinyl)acrylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 400.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.2±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.59
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.59
Polar Surface Area: 112 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 174.1±3.0 cm3

Click to predict properties on the Chemicalize site


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