ChemSpider 2D Image | 5,5'-(2,6-Pyridinediyl)bis(4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione) | C23H19N7S2

5,5'-(2,6-Pyridinediyl)bis(4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione)

  • Molecular FormulaC23H19N7S2
  • Average mass457.574 Da
  • Monoisotopic mass457.114319 Da
  • ChemSpider ID30654947

More details:

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

3H-1,2,4-Triazole-3-thione, 5,5'-(2,6-pyridinediyl)bis[2,4-dihydro-4-(phenylmethyl)- [ACD/Index Name]
5,5'-(2,6-Pyridindiyl)bis(4-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-thion) [German] [ACD/IUPAC Name]
5,5'-(2,6-Pyridinediyl)bis(4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione) [ACD/IUPAC Name]
5,5'-(2,6-Pyridinediyl)bis(4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione) [French] [ACD/IUPAC 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: 625.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±34.3 °C
Index of Refraction: 1.767
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 26.64
ACD/KOC (pH 5.5): 354.44
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 23.71
Polar Surface Area: 132 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 322.5±7.0 cm3

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