ChemSpider 2D Image | 3-(Trifluoromethyl)-1,2,4-oxadiazole-5-thiol | C3HF3N2OS

3-(Trifluoromethyl)-1,2,4-oxadiazole-5-thiol

  • Molecular FormulaC3HF3N2OS
  • Average mass170.113 Da
  • Monoisotopic mass169.976166 Da
  • ChemSpider ID40733330

More details:

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

1,2,4-Oxadiazole-5-thiol, 3-(trifluoromethyl)- [ACD/Index Name]
3-(Trifluormethyl)-1,2,4-oxadiazol-5-thiol [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-1,2,4-oxadiazole-5-thiol [ACD/IUPAC Name]
3-(Trifluorométhyl)-1,2,4-oxadiazole-5-thiol [French] [ACD/IUPAC Name]
1554067-56-9 [RN]
MFCD24279880

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

Density: 1.6±0.1 g/cm3
Boiling Point: 125.7±50.0 °C at 760 mmHg
Vapour Pressure: 14.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.9±3.0 kJ/mol
Flash Point: 29.8±30.1 °C
Index of Refraction: 1.445
Molar Refractivity: 27.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 104.8±3.0 cm3

Click to predict properties on the Chemicalize site


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