ChemSpider 2D Image | 3-(Benzylsulfanyl)-4-(4-chlorobenzyl)-5-(2-thienyl)-4H-1,2,4-triazole | C20H16ClN3S2

3-(Benzylsulfanyl)-4-(4-chlorobenzyl)-5-(2-thienyl)-4H-1,2,4-triazole

  • Molecular FormulaC20H16ClN3S2
  • Average mass397.944 Da
  • Monoisotopic mass397.047424 Da
  • ChemSpider ID23311991

More details:

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

3-(Benzylsulfanyl)-4-(4-chlorbenzyl)-5-(2-thienyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-(Benzylsulfanyl)-4-(4-chlorobenzyl)-5-(2-thienyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3-(Benzylsulfanyl)-4-(4-chlorobenzyl)-5-(2-thiényl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-(benzylsulfanyl)-4-(4-chlorobenzyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole
4H-1,2,4-Triazole, 4-[(4-chlorophenyl)methyl]-3-[(phenylmethyl)thio]-5-(2-thienyl)- [ACD/Index Name]
4-(4-chlorobenzyl)-3-(benzylthio)-5-(thiophen-2-yl)-4H-1,2,4-triazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.9±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14534.89
ACD/KOC (pH 5.5): 33192.28
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14535.46
ACD/KOC (pH 7.4): 33193.59
Polar Surface Area: 84 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 299.0±7.0 cm3

Click to predict properties on the Chemicalize site


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