ChemSpider 2D Image | 2-{2-Methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethanol | C14H17NOS

2-{2-Methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethanol

  • Molecular FormulaC14H17NOS
  • Average mass247.356 Da
  • Monoisotopic mass247.103088 Da
  • ChemSpider ID64958534

More details:

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

1H-Pyrrole-1-ethanol, 2-methyl-5-[4-(methylthio)phenyl]- [ACD/Index Name]
2-{2-methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethan-1-ol
2-{2-Methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethanol [German] [ACD/IUPAC Name]
2-{2-Methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethanol [ACD/IUPAC Name]
2-{2-Méthyl-5-[4-(méthylsulfanyl)phényl]-1H-pyrrol-1-yl}éthanol [French] [ACD/IUPAC Name]
494850-27-0 [RN]
2-{2-methyl-5-[4-(methylsulfanyl)phenyl]pyrrol-1-yl}ethanol
MFCD31567435

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 406.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 199.7±28.7 °C
    Index of Refraction: 1.584
    Molar Refractivity: 74.2±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 101.27
    ACD/KOC (pH 5.5): 948.71
    ACD/LogD (pH 7.4): 2.94
    ACD/BCF (pH 7.4): 101.27
    ACD/KOC (pH 7.4): 948.71
    Polar Surface Area: 50 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 40.5±7.0 dyne/cm
    Molar Volume: 221.8±7.0 cm3

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