ChemSpider 2D Image | (1S)-1-[4-(Ethylsulfanyl)phenyl]-2,2,2-trifluoroethanamine | C10H12F3NS

(1S)-1-[4-(Ethylsulfanyl)phenyl]-2,2,2-trifluoroethanamine

  • Molecular FormulaC10H12F3NS
  • Average mass235.269 Da
  • Monoisotopic mass235.064255 Da
  • ChemSpider ID27445535

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[4-(Ethylsulfanyl)phenyl]-2,2,2-trifluorethanamin [German] [ACD/IUPAC Name]
(1S)-1-[4-(Ethylsulfanyl)phenyl]-2,2,2-trifluoroethanamine [ACD/IUPAC Name]
(1S)-1-[4-(Éthylsulfanyl)phényl]-2,2,2-trifluoroéthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 4-(ethylthio)-α-(trifluoromethyl)-, (αS)- [ACD/Index Name]
(S)-1-(4-ETHYLSULFANYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE
MFCD07374845

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 295.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.6±3.0 kJ/mol
    Flash Point: 132.8±27.3 °C
    Index of Refraction: 1.515
    Molar Refractivity: 57.2±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 1.65
    ACD/BCF (pH 5.5): 6.93
    ACD/KOC (pH 5.5): 84.31
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.00
    ACD/KOC (pH 7.4): 462.52
    Polar Surface Area: 51 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 36.3±5.0 dyne/cm
    Molar Volume: 189.8±5.0 cm3

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