ChemSpider 2D Image | 4-(2-Thienylmethyl)benzonitrile | C12H9NS

4-(2-Thienylmethyl)benzonitrile

  • Molecular FormulaC12H9NS
  • Average mass199.272 Da
  • Monoisotopic mass199.045563 Da
  • ChemSpider ID22252414

More details:

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

100005-79-6 [RN]
4-(2-Thienylmethyl)benzonitril [German] [ACD/IUPAC Name]
4-(2-Thienylmethyl)benzonitrile [ACD/IUPAC Name]
4-(2-Thiénylméthyl)benzonitrile [French] [ACD/IUPAC Name]
4-(thien-2-ylmethyl)benzonitrile
Benzonitrile, 4-(2-thienylmethyl)- [ACD/Index Name]
4-(2-thienylmethyl)benzenecarbonitrile
4-(THIOPHEN-2-YLMETHYL)BENZONITRILE
4-[(Thiophen-2-yl)methyl]benzonitrile
Benzonitrile,4-(2-thienylmethyl)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 339.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 159.0±24.6 °C
Index of Refraction: 1.623
Molar Refractivity: 58.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 354.06
ACD/KOC (pH 5.5): 2323.98
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 354.06
ACD/KOC (pH 7.4): 2323.98
Polar Surface Area: 52 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 166.8±5.0 cm3

Click to predict properties on the Chemicalize site


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