ChemSpider 2D Image | 5-(3-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C17H17N3O2S

5-(3-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC17H17N3O2S
  • Average mass327.401 Da
  • Monoisotopic mass327.104156 Da
  • ChemSpider ID24741164

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]- [ACD/Index Name]
5-(3-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-(3-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(3-Méthoxybenzyl)-4-(2-méthoxyphényl)-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: 1.3±0.1 g/cm3
Boiling Point: 464.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.7±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 93.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 24.62
ACD/KOC (pH 5.5): 300.06
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 14.22
Polar Surface Area: 78 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 260.9±7.0 cm3

Click to predict properties on the Chemicalize site


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