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

5-(Trifluoromethyl)-1,3,4-thiadiazol-2(5H)-one

  • Molecular FormulaC3HF3N2OS
  • Average mass170.113 Da
  • Monoisotopic mass169.976166 Da
  • ChemSpider ID95548384

More details:

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

1,3,4-Thiadiazol-2(5H)-one, 5-(trifluoromethyl)- [ACD/Index Name]
5-(Trifluormethyl)-1,3,4-thiadiazol-2(5H)-on [German] [ACD/IUPAC Name]
5-(Trifluoromethyl)-1,3,4-thiadiazol-2(5H)-one [ACD/IUPAC Name]
5-(Trifluorométhyl)-1,3,4-thiadiazol-2(5H)-one [French] [ACD/IUPAC Name]
5-(trifluoromethyl)-2,5-dihydro-1,3,4-thiadiazol-2-one
5-(trifluoromethyl)-5H-1,3,4-thiadiazol-2-one
84352-75-0 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 144.7±43.0 °C at 760 mmHg
Vapour Pressure: 5.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.2±3.0 kJ/mol
Flash Point: 41.3±28.2 °C
Index of Refraction: 1.571
Molar Refractivity: 28.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.03
ACD/KOC (pH 5.5): 140.58
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.03
ACD/KOC (pH 7.4): 140.58
Polar Surface Area: 67 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 87.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement