ChemSpider 2D Image | 4-Hydroxy-2-(trifluoromethyl)benzenecarbothioamide | C8H6F3NOS

4-Hydroxy-2-(trifluoromethyl)benzenecarbothioamide

  • Molecular FormulaC8H6F3NOS
  • Average mass221.199 Da
  • Monoisotopic mass221.012222 Da
  • ChemSpider ID27527452

More details:

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

4-Hydroxy-2-(trifluormethyl)benzolcarbothioamid [German] [ACD/IUPAC Name]
4-Hydroxy-2-(trifluoromethyl)benzenecarbothioamide [ACD/IUPAC Name]
4-Hydroxy-2-(trifluorométhyl)benzènecarbothioamide [French] [ACD/IUPAC Name]
Benzenecarbothioamide, 4-hydroxy-2-(trifluoromethyl)- [ACD/Index Name]
1094697-91-2 [RN]
MFCD11213691

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

Density: 1.5±0.1 g/cm3
Boiling Point: 332.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 154.6±30.7 °C
Index of Refraction: 1.581
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.96
ACD/KOC (pH 5.5): 487.23
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 32.60
ACD/KOC (pH 7.4): 397.47
Polar Surface Area: 78 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 147.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement