ChemSpider 2D Image | 3-Furyl[4-(methylsulfanyl)phenyl]methanol | C12H12O2S

3-Furyl[4-(methylsulfanyl)phenyl]methanol

  • Molecular FormulaC12H12O2S
  • Average mass220.288 Da
  • Monoisotopic mass220.055801 Da
  • ChemSpider ID35326461

More details:

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

(FURAN-3-YL)[4-(METHYLSULFANYL)PHENYL]METHANOL
1244038-77-4 [RN]
3-Furanmethanol, α-[4-(methylthio)phenyl]- [ACD/Index Name]
3-Furyl[4-(methylsulfanyl)phenyl]methanol [German] [ACD/IUPAC Name]
3-Furyl[4-(methylsulfanyl)phenyl]methanol [ACD/IUPAC Name]
3-Furyl[4-(méthylsulfanyl)phényl]méthanol [French] [ACD/IUPAC Name]
3-Furyl-(4-methylthiophenyl)methanol
atoms 15 bonds 16
Furan-3-yl(4-(methylthio)phenyl)methanol
furan-3-yl-(4-methylsulfanylphenyl)methanol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 268.5±19.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.5±3.0 kJ/mol
    Flash Point: 116.2±21.5 °C
    Index of Refraction: 1.625
    Molar Refractivity: 62.7±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 68.30
    ACD/KOC (pH 5.5): 715.60
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 68.30
    ACD/KOC (pH 7.4): 715.60
    Polar Surface Area: 59 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 177.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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