ChemSpider 2D Image | 3-[(2,5-Dimethylbenzyl)sulfanyl]-4-phenyl-5-(2-thienyl)-4H-1,2,4-triazole | C21H19N3S2

3-[(2,5-Dimethylbenzyl)sulfanyl]-4-phenyl-5-(2-thienyl)-4H-1,2,4-triazole

  • Molecular FormulaC21H19N3S2
  • Average mass377.526 Da
  • Monoisotopic mass377.102051 Da
  • ChemSpider ID21583790

More details:

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

3-[(2,5-Dimethylbenzyl)sulfanyl]-4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-[(2,5-Dimethylbenzyl)sulfanyl]-4-phenyl-5-(2-thienyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[(2,5-Diméthylbenzyl)sulfanyl]-4-phényl-5-(2-thiényl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[[(2,5-dimethylphenyl)methyl]thio]-4-phenyl-5-(2-thienyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.7±30.7 °C
Index of Refraction: 1.677
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 30033.36
ACD/KOC (pH 5.5): 55802.18
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 30033.85
ACD/KOC (pH 7.4): 55803.10
Polar Surface Area: 84 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 304.0±7.0 cm3

Click to predict properties on the Chemicalize site


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