ChemSpider 2D Image | 1-[2-(Trifluoromethoxy)ethyl]-1H-1,2,4-triazole-3-carbothioamide | C6H7F3N4OS

1-[2-(Trifluoromethoxy)ethyl]-1H-1,2,4-triazole-3-carbothioamide

  • Molecular FormulaC6H7F3N4OS
  • Average mass240.206 Da
  • Monoisotopic mass240.029266 Da
  • ChemSpider ID49117023

More details:

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

1-[2-(Trifluormethoxy)ethyl]-1H-1,2,4-triazol-3-carbothioamid [German] [ACD/IUPAC Name]
1-[2-(Trifluoromethoxy)ethyl]-1H-1,2,4-triazole-3-carbothioamide [ACD/IUPAC Name]
1-[2-(Trifluorométhoxy)éthyl]-1H-1,2,4-triazole-3-carbothioamide [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbothioamide, 1-[2-(trifluoromethoxy)ethyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 323.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.4±30.7 °C
Index of Refraction: 1.574
Molar Refractivity: 48.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 59.13
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 59.12
Polar Surface Area: 98 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 147.0±7.0 cm3

Click to predict properties on the Chemicalize site


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