ChemSpider 2D Image | 5-[(4-phenyltriazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol | C11H9N5OS

5-[(4-phenyltriazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol

  • Molecular FormulaC11H9N5OS
  • Average mass259.287 Da
  • Monoisotopic mass259.052765 Da
  • ChemSpider ID21127151

More details:

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

5-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1,3,4-oxadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
5-[(4-Phényl-1H-1,2,3-triazol-1-yl)méthyl]-1,3,4-oxadiazole-2(3H)-thione [French] [ACD/IUPAC 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: 488.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.5±31.5 °C
Index of Refraction: 1.774
Molar Refractivity: 70.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 169.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement