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

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

  • Molecular FormulaC22H27N5S
  • Average mass393.548 Da
  • Monoisotopic mass393.198730 Da
  • ChemSpider ID21690861

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-(2-methylphenyl)-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]- [ACD/Index Name]
5-Methyl-4-(2-methylphenyl)-2-{[4-(3-methylphenyl)-1-piperazinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-Methyl-4-(2-methylphenyl)-2-{[4-(3-methylphenyl)-1-piperazinyl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-Méthyl-4-(2-méthylphényl)-2-{[4-(3-méthylphényl)-1-pipérazinyl]méthyl}-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: 1.2±0.1 g/cm3
Boiling Point: 524.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.8±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): 2.61
ACD/BCF (pH 5.5): 36.59
ACD/KOC (pH 5.5): 273.92
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 209.28
ACD/KOC (pH 7.4): 1566.76
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

Click to predict properties on the Chemicalize site


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