ChemSpider 2D Image | 5-(4-Bromophenyl)-4-[(E)-(4-chlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione | C15H10BrClN4S

5-(4-Bromophenyl)-4-[(E)-(4-chlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC15H10BrClN4S
  • Average mass393.689 Da
  • Monoisotopic mass391.949799 Da
  • ChemSpider ID21808947
  • Double-bond stereo - Double-bond stereo


More details:






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

3H-1,2,4-Triazole-3-thione, 5-(4-bromophenyl)-4-[[(1E)-(4-chlorophenyl)methylene]amino]-2,4-dihydro- [ACD/Index Name]
5-(4-Bromophenyl)-4-[(E)-(4-chlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(4-Bromophényl)-4-[(E)-(4-chlorobenzylidène)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(4-Bromphenyl)-4-[(E)-(4-chlorbenzyliden)amino]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5-(4-bromophenyl)-4-{[(E)-(4-chlorophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 542.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.6±32.9 °C
Index of Refraction: 1.722
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 1585.20
ACD/KOC (pH 5.5): 4499.52
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 65.37
ACD/KOC (pH 7.4): 185.54
Polar Surface Area: 82 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 244.0±7.0 cm3

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