ChemSpider 2D Image | 4-{[(5-nitro-2-thienyl)methylene]amino}benzonitrile | C12H7N3O2S

4-{[(5-nitro-2-thienyl)methylene]amino}benzonitrile

  • Molecular FormulaC12H7N3O2S
  • Average mass257.268 Da
  • Monoisotopic mass257.025909 Da
  • ChemSpider ID35341186

More details:

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

4-{[(5-Nitro-2-thienyl)methylen]amino}benzonitril [German] [ACD/IUPAC Name]
4-{[(5-nitro-2-thienyl)methylene]amino}benzonitrile [ACD/IUPAC Name]
4-{[(5-Nitro-2-thiényl)méthylène]amino}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[(5-nitro-2-thienyl)methylene]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 474.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.7±27.3 °C
Index of Refraction: 1.672
Molar Refractivity: 71.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.79
ACD/KOC (pH 5.5): 1120.59
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.79
ACD/KOC (pH 7.4): 1120.60
Polar Surface Area: 110 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 190.2±7.0 cm3

Click to predict properties on the Chemicalize site


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