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

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

  • Molecular FormulaC12H12FN3S
  • Average mass249.307 Da
  • Monoisotopic mass249.073593 Da
  • ChemSpider ID22406219

More details:

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

4-Allyl-3-[(4-fluorbenzyl)sulfanyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-Allyl-3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Allyl-3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[[(4-fluorophenyl)methyl]thio]-4-(2-propen-1-yl)- [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: 404.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.2±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 70.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.27
ACD/KOC (pH 5.5): 781.66
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.28
ACD/KOC (pH 7.4): 781.80
Polar Surface Area: 56 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 205.6±7.0 cm3

Click to predict properties on the Chemicalize site


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