ChemSpider 2D Image | 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}ethanamine | C10H12F3NS

2-{[4-(Trifluoromethyl)benzyl]sulfanyl}ethanamine

  • Molecular FormulaC10H12F3NS
  • Average mass235.269 Da
  • Monoisotopic mass235.064255 Da
  • ChemSpider ID38142319

More details:

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

143627-51-4 [RN]
2-[[[4-(Trifluoromethyl)phenyl]methyl]thio]ethanamine
2-{[4-(Trifluormethyl)benzyl]sulfanyl}ethanamin [German] [ACD/IUPAC Name]
2-{[4-(Trifluoromethyl)benzyl]sulfanyl}ethanamine [ACD/IUPAC Name]
2-{[4-(Trifluorométhyl)benzyl]sulfanyl}éthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[[[4-(trifluoromethyl)phenyl]methyl]thio]- [ACD/Index Name]
2-((4-(Trifluoromethyl)benzyl)thio)ethanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 281.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 123.7±27.3 °C
Index of Refraction: 1.512
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 25.35
Polar Surface Area: 51 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 189.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement