ChemSpider 2D Image | 3-(Benzylsulfanyl)-4-cyclopropyl-5-(4-fluorophenyl)-4H-1,2,4-triazole | C18H16FN3S

3-(Benzylsulfanyl)-4-cyclopropyl-5-(4-fluorophenyl)-4H-1,2,4-triazole

  • Molecular FormulaC18H16FN3S
  • Average mass325.403 Da
  • Monoisotopic mass325.104889 Da
  • ChemSpider ID21850997

More details:

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

3-(Benzylsulfanyl)-4-cyclopropyl-5-(4-fluorophenyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3-(Benzylsulfanyl)-4-cyclopropyl-5-(4-fluorophényl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-(Benzylsulfanyl)-4-cyclopropyl-5-(4-fluorphenyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 4-cyclopropyl-3-(4-fluorophenyl)-5-[(phenylmethyl)thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 512.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.5±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1360.87
ACD/KOC (pH 5.5): 6092.20
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1360.97
ACD/KOC (pH 7.4): 6092.68
Polar Surface Area: 56 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 245.9±7.0 cm3

Click to predict properties on the Chemicalize site


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