ChemSpider 2D Image | (2Z)-3-(Dimethylamino)-3-(methylsulfanyl)-2-phenylacrylonitrile | C12H14N2S

(2Z)-3-(Dimethylamino)-3-(methylsulfanyl)-2-phenylacrylonitrile

  • Molecular FormulaC12H14N2S
  • Average mass218.318 Da
  • Monoisotopic mass218.087769 Da
  • ChemSpider ID35785350

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(Dimethylamino)-3-(methylsulfanyl)-2-phenylacrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(Dimethylamino)-3-(methylsulfanyl)-2-phenylacrylonitrile [ACD/IUPAC Name]
(2Z)-3-(Diméthylamino)-3-(méthylsulfanyl)-2-phénylacrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[(dimethylamino)(methylthio)methylene]-, (αZ)- [ACD/Index Name]
BENZENEACETONITRILE, A-[(DIMETHYLAMINO)(METHYLTHIO)METHYLENE]-, (Z)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 404.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.5±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 66.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.49
ACD/KOC (pH 5.5): 754.14
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.49
ACD/KOC (pH 7.4): 754.15
Polar Surface Area: 52 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 197.7±3.0 cm3

Click to predict properties on the Chemicalize site


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