ChemSpider 2D Image | 4-[(Z)-{[5-(2-Chlorophenyl)-2-furyl]methylene}amino]-5-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C15H13ClN4OS

4-[(Z)-{[5-(2-Chlorophenyl)-2-furyl]methylene}amino]-5-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC15H13ClN4OS
  • Average mass332.808 Da
  • Monoisotopic mass332.049866 Da
  • ChemSpider ID28487541

  • 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)-[5-(2-chlorophenyl)-2-furanyl]methylene]amino]-5-ethyl-2,4-dihydro- [ACD/Index Name]
4-[(Z)-{[5-(2-Chlorophenyl)-2-furyl]methylene}amino]-5-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-[(Z)-{[5-(2-Chlorophényl)-2-furyl]méthylène}amino]-5-éthyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-[(Z)-{[5-(2-Chlorphenyl)-2-furyl]methylen}amino]-5-ethyl-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: 518.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.6±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 24.98
ACD/KOC (pH 5.5): 165.08
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 4.33
ACD/KOC (pH 7.4): 28.60
Polar Surface Area: 95 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 237.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement