ChemSpider 2D Image | 4-[(Z)-(4-Chlorobenzylidene)amino]-5-(3-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C12H13ClN4OS

4-[(Z)-(4-Chlorobenzylidene)amino]-5-(3-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC12H13ClN4OS
  • Average mass296.776 Da
  • Monoisotopic mass296.049866 Da
  • ChemSpider ID30655109

  • 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, 4-[[(1Z)-(4-chlorophenyl)methylene]amino]-2,4-dihydro-5-(3-hydroxypropyl)- [ACD/Index Name]
4-[(Z)-(4-Chlorbenzyliden)amino]-5-(3-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-[(Z)-(4-Chlorobenzylidene)amino]-5-(3-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-[(Z)-(4-Chlorobenzylidène)amino]-5-(3-hydroxypropyl)-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: 1.4±0.1 g/cm3
Boiling Point: 435.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 217.3±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 78.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.66
ACD/KOC (pH 5.5): 226.06
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.18
ACD/KOC (pH 7.4): 218.20
Polar Surface Area: 92 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 209.0±7.0 cm3

Click to predict properties on the Chemicalize site


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