ChemSpider 2D Image | 3-(Allylsulfanyl)-5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazole | C13H14ClN3S

3-(Allylsulfanyl)-5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazole

  • Molecular FormulaC13H14ClN3S
  • Average mass279.788 Da
  • Monoisotopic mass279.059692 Da
  • ChemSpider ID21628498

More details:

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

3-(Allylsulfanyl)-5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazole [ACD/IUPAC Name]
3-(Allylsulfanyl)-5-(4-chlorophényl)-4-éthyl-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-(Allylsulfanyl)-5-(4-chlorphenyl)-4-ethyl-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-ethyl-5-(2-propen-1-ylthio)- [ACD/Index Name]
3-(allylthio)-5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 430.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.9±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 79.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 877.72
ACD/KOC (pH 5.5): 4450.93
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 877.74
ACD/KOC (pH 7.4): 4451.05
Polar Surface Area: 56 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 227.2±7.0 cm3

Click to predict properties on the Chemicalize site


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