ChemSpider 2D Image | 4-(2-Thienylmethyl)-5-(3,3,3-trifluoropropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C10H10F3N3OS

4-(2-Thienylmethyl)-5-(3,3,3-trifluoropropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC10H10F3N3OS
  • Average mass277.266 Da
  • Monoisotopic mass277.049652 Da
  • ChemSpider ID29599249

More details:

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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-(2-thienylmethyl)-5-(3,3,3-trifluoropropyl)- [ACD/Index Name]
4-(2-Thienylmethyl)-5-(3,3,3-trifluoropropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-(2-Thiénylméthyl)-5-(3,3,3-trifluoropropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
4-(2-Thienylmethyl)-5-(3,3,3-trifluorpropyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 62.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.42
ACD/KOC (pH 5.5): 116.56
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.50
ACD/KOC (pH 7.4): 96.79
Polar Surface Area: 73 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 182.7±7.0 cm3

Click to predict properties on the Chemicalize site


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