ChemSpider 2D Image | 5-(2-Bromophenyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C15H12BrN3OS

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

  • Molecular FormulaC15H12BrN3OS
  • Average mass362.244 Da
  • Monoisotopic mass360.988434 Da
  • ChemSpider ID17824763

More details:

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

3H-1,2,4-Triazole-3-thione, 5-(2-bromophenyl)-2,4-dihydro-4-(4-methoxyphenyl)- [ACD/Index Name]
5-(2-Bromophenyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(2-Bromophényl)-4-(4-méthoxyphényl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(2-Bromphenyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
917747-80-9 [RN]
5-(2-Bromo-phenyl)-4-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
MFCD08898747

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

Density: 1.5±0.1 g/cm3
Boiling Point: 525.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.3±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 90.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 87.88
ACD/KOC (pH 5.5): 477.91
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 12.16
Polar Surface Area: 79 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 235.7±7.0 cm3

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