ChemSpider 2D Image | 4-Cyclopropyl-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole | C12H12FN3S

4-Cyclopropyl-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole

  • Molecular FormulaC12H12FN3S
  • Average mass249.307 Da
  • Monoisotopic mass249.073593 Da
  • ChemSpider ID30603551

More details:

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

4-Cyclopropyl-3-[(2-fluorbenzyl)sulfanyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-Cyclopropyl-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Cyclopropyl-3-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 4-cyclopropyl-3-[[(2-fluorophenyl)methyl]thio]- [ACD/Index 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: 419.4±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.4±29.3 °C
Index of Refraction: 1.689
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.88
ACD/KOC (pH 5.5): 367.04
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.88
ACD/KOC (pH 7.4): 367.11
Polar Surface Area: 56 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 177.9±7.0 cm3

Click to predict properties on the Chemicalize site


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