ChemSpider 2D Image | CHEMBRDG-BB 9071599 | C11H17NS

CHEMBRDG-BB 9071599

  • Molecular FormulaC11H17NS
  • Average mass195.324 Da
  • Monoisotopic mass195.108170 Da
  • ChemSpider ID21612920

More details:






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

915923-48-7 [RN]
CHEMBRDG-BB 9071599
Ethanamine, N-ethyl-2-[(4-methylphenyl)thio]- [ACD/Index Name]
N-Ethyl-2-[(4-methylphenyl)sulfanyl]ethanamin [German] [ACD/IUPAC Name]
N-Ethyl-2-[(4-methylphenyl)sulfanyl]ethanamine [ACD/IUPAC Name]
N-Éthyl-2-[(4-méthylphényl)sulfanyl]éthanamine [French] [ACD/IUPAC Name]
ETHYL({2-[(4-METHYLPHENYL)SULFANYL]ETHYL})AMINE
MFCD08691964 [MDL number]
N-ethyl-2-(4-methylphenyl)sulfanylethanamine
N-Ethyl-2-(p-tolylthio)ethanamine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 290.7±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.0±3.0 kJ/mol
    Flash Point: 129.6±22.6 °C
    Index of Refraction: 1.549
    Molar Refractivity: 61.6±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.16
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 1.14
    ACD/KOC (pH 7.4): 9.38
    Polar Surface Area: 37 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 38.6±5.0 dyne/cm
    Molar Volume: 193.7±5.0 cm3

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