ChemSpider 2D Image | 1-{4-[(2-Fluoroethyl)sulfanyl]-2,5-dimethoxyphenyl}-N-methylmethanamine | C12H18FNO2S

1-{4-[(2-Fluoroethyl)sulfanyl]-2,5-dimethoxyphenyl}-N-methylmethanamine

  • Molecular FormulaC12H18FNO2S
  • Average mass259.340 Da
  • Monoisotopic mass259.104218 Da
  • ChemSpider ID35485514

More details:

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

1-{4-[(2-Fluorethyl)sulfanyl]-2,5-dimethoxyphenyl}-N-methylmethanamin [German] [ACD/IUPAC Name]
1-{4-[(2-Fluoroethyl)sulfanyl]-2,5-dimethoxyphenyl}-N-methylmethanamine [ACD/IUPAC Name]
1-{4-[(2-Fluoroéthyl)sulfanyl]-2,5-diméthoxyphényl}-N-méthylméthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 4-[(2-fluoroethyl)thio]-2,5-dimethoxy-N-methyl- [ACD/Index Name]
[4-(2-Fluoro-ethylsulfanyl)-2,5-dimethoxy-benzyl]-methyl-amine
1-[4-(2-fluoroethylsulfanyl)-2,5-dimethoxyphenyl]-N-methylmethanamine
1394023-81-4 [RN]
MFCD22385278

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 357.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 170.0±27.9 °C
    Index of Refraction: 1.528
    Molar Refractivity: 69.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.05
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.07
    ACD/BCF (pH 7.4): 1.65
    ACD/KOC (pH 7.4): 18.51
    Polar Surface Area: 56 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 39.7±5.0 dyne/cm
    Molar Volume: 226.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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