ChemSpider 2D Image | 5-{2-[(2,6-Dichlorophenyl)amino]benzyl}-4-[(E)-(4-methoxybenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione | C23H19Cl2N5OS

5-{2-[(2,6-Dichlorophenyl)amino]benzyl}-4-[(E)-(4-methoxybenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC23H19Cl2N5OS
  • Average mass484.401 Da
  • Monoisotopic mass483.068726 Da
  • ChemSpider ID30656980

  • 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-[(2,6-dichlorophenyl)amino]phenyl]methyl]-2,4-dihydro-4-[[(1E)-(4-methoxyphenyl)methylene]amino]- [ACD/Index Name]
5-{2-[(2,6-Dichlorophenyl)amino]benzyl}-4-[(E)-(4-methoxybenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-{2-[(2,6-Dichlorophényl)amino]benzyl}-4-[(E)-(4-méthoxybenzylidène)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-{2-[(2,6-Dichlorphenyl)amino]benzyl}-4-[(E)-(4-methoxybenzyliden)amino]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4223.19
ACD/KOC (pH 5.5): 13702.08
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4123.37
ACD/KOC (pH 7.4): 13378.20
Polar Surface Area: 93 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 351.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement