ChemSpider 2D Image | (2Z)-2-(2-Bromo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-(2-thienyl)acrylonitrile | C16H14BrNO2S2

(2Z)-2-(2-Bromo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-(2-thienyl)acrylonitrile

  • Molecular FormulaC16H14BrNO2S2
  • Average mass396.322 Da
  • Monoisotopic mass394.964935 Da
  • ChemSpider ID30658991

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(2-Brom-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-(2-thienyl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-2-(2-Bromo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)-3-(2-thienyl)acrylonitrile [ACD/IUPAC Name]
(2Z)-2-(2-Bromo-4,5-diméthoxyphényl)-3-(méthylsulfanyl)-3-(2-thiényl)acrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2-bromo-4,5-dimethoxy-α-[(methylthio)-2-thienylmethylene]-, (αZ)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 499.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.6±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3075.53
ACD/KOC (pH 5.5): 10920.64
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3075.53
ACD/KOC (pH 7.4): 10920.64
Polar Surface Area: 96 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 273.4±3.0 cm3

Click to predict properties on the Chemicalize site


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