ChemSpider 2D Image | 2-(Methylsulfanyl)-N-(3,4,5-trifluorobenzyl)ethanamine | C10H12F3NS

2-(Methylsulfanyl)-N-(3,4,5-trifluorobenzyl)ethanamine

  • Molecular FormulaC10H12F3NS
  • Average mass235.269 Da
  • Monoisotopic mass235.064255 Da
  • ChemSpider ID40203077

More details:

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

2-(Methylsulfanyl)-N-(3,4,5-trifluorbenzyl)ethanamin [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-N-(3,4,5-trifluorobenzyl)ethanamine [ACD/IUPAC Name]
2-(Méthylsulfanyl)-N-(3,4,5-trifluorobenzyl)éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 3,4,5-trifluoro-N-[2-(methylthio)ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 281.5±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: 124.1±27.3 °C
Index of Refraction: 1.506
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 13.03
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 40.74
ACD/KOC (pH 7.4): 423.46
Polar Surface Area: 37 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 190.7±3.0 cm3

Click to predict properties on the Chemicalize site


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