ChemSpider 2D Image | 2-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}-5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C22H27N5S

2-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}-5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC22H27N5S
  • Average mass393.548 Da
  • Monoisotopic mass393.198730 Da
  • ChemSpider ID21657056

More details:

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

2-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}-5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
2-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}-5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
2-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]méthyl}-5-méthyl-4-phényl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
3H-1,2,4-Triazole-3-thione, 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2,4-dihydro-5-methyl-4-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.6±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 119.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 12.71
ACD/KOC (pH 5.5): 95.13
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 182.78
ACD/KOC (pH 7.4): 1368.34
Polar Surface Area: 57 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 326.5±7.0 cm3

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