ChemSpider 2D Image | 3-[(Trifluoromethyl)sulfanyl]benzenecarbothioic S-acid | C8H5F3OS2

3-[(Trifluoromethyl)sulfanyl]benzenecarbothioic S-acid

  • Molecular FormulaC8H5F3OS2
  • Average mass238.250 Da
  • Monoisotopic mass237.973389 Da
  • ChemSpider ID98441209

More details:

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

3-[(Trifluormethyl)sulfanyl]benzolcarbothio-S-säure [German] [ACD/IUPAC Name]
3-[(Trifluoromethyl)sulfanyl]benzenecarbothioic S-acid [ACD/IUPAC Name]
Benzenecarbothioic acid, 3-[(trifluoromethyl)thio]- [ACD/Index Name]
S-Acide de 3-[(trifluorométhyl)sulfanyl]benzènecarbothioïque [French] [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: 228.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 92.0±27.3 °C
Index of Refraction: 1.551
Molar Refractivity: 52.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.07
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 164.1±5.0 cm3

Click to predict properties on the Chemicalize site


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