ChemSpider 2D Image | MFCD03221386 | C15H10BrClN4S

MFCD03221386

  • Molecular FormulaC15H10BrClN4S
  • Average mass393.689 Da
  • Monoisotopic mass391.949799 Da
  • ChemSpider ID21493442
  • 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-(2-bromophenyl)-4-[[(1E)-(2-chlorophenyl)methylene]amino]-2,4-dihydro- [ACD/Index Name]
5-(2-Bromophenyl)-4-[(E)-(2-chlorobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(2-Bromophényl)-4-[(E)-(2-chlorobenzylidène)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(2-Bromphenyl)-4-[(E)-(2-chlorbenzyliden)amino]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
MFCD03221386
5-(2-bromophenyl)-4-[(E)-[(2-chlorophenyl)methylidene]amino]-4H-1,2,4-triazole-3-thiol
5-(2-bromophenyl)-4-{[(E)-(2-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: 558.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±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: 5.87
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 932.04
ACD/KOC (pH 5.5): 2983.42
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 30.67
ACD/KOC (pH 7.4): 98.19
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

Click to predict properties on the Chemicalize site






Advertisement