ChemSpider 2D Image | 3-(Trifluoromethyl)-1,2,4-thiadiazol-5-ol | C3HF3N2OS

3-(Trifluoromethyl)-1,2,4-thiadiazol-5-ol

  • Molecular FormulaC3HF3N2OS
  • Average mass170.113 Da
  • Monoisotopic mass169.976166 Da
  • ChemSpider ID55204410

More details:

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

1,2,4-Thiadiazol-5-ol, 3-(trifluoromethyl)- [ACD/Index Name]
3-(Trifluormethyl)-1,2,4-thiadiazol-5-ol [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-1,2,4-thiadiazol-5-ol [ACD/IUPAC Name]
3-(Trifluorométhyl)-1,2,4-thiadiazol-5-ol [French] [ACD/IUPAC Name]
1702122-56-2 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 197.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 73.5±30.1 °C
Index of Refraction: 1.481
Molar Refractivity: 27.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.25
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 97.3±3.0 cm3

Click to predict properties on the Chemicalize site


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