ChemSpider 2D Image | 4-{(E)-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzonitrile | C11H9N5S

4-{(E)-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzonitrile

  • Molecular FormulaC11H9N5S
  • Average mass243.288 Da
  • Monoisotopic mass243.057861 Da
  • ChemSpider ID30655536

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(E)-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzonitril [German] [ACD/IUPAC Name]
4-{(E)-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzonitrile [ACD/IUPAC Name]
4-{(E)-[(3-Méthyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(E)-[(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)imino]methyl]- [ACD/Index 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: 385.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.1±28.4 °C
Index of Refraction: 1.698
Molar Refractivity: 70.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.12
ACD/KOC (pH 5.5): 112.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.00
ACD/KOC (pH 7.4): 109.31
Polar Surface Area: 96 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 182.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement