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Search term: MF = 'C_{11}H_{10}OS'

ChemSpider 2D Image | 1-(2-methyl-1-benzothien-3-yl)ethanone | C11H10OS

1-(2-methyl-1-benzothien-3-yl)ethanone

  • Molecular FormulaC11H10OS
  • Average mass190.262 Da
  • Monoisotopic mass190.045242 Da
  • ChemSpider ID14421550

More details:






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

1-(2-methyl-1-benzothien-3-yl)ethanone
1-(2-Methyl-1-benzothiophen-3-yl)ethan-1-one
1-(2-Methyl-1-benzothiophen-3-yl)ethanon [German] [ACD/IUPAC Name]
1-(2-Methyl-1-benzothiophen-3-yl)ethanone [ACD/IUPAC Name]
1-(2-Méthyl-1-benzothiophén-3-yl)éthanone [French] [ACD/IUPAC Name]
1-(2-Methylbenzo[b]thiophen-3-yl)ethanone
16810-19-8 [RN]
Ethanone, 1-(2-methylbenzo[b]thien-3-yl)- [ACD/Index Name]
MFCD08059890 [MDL number]
2-Methyl-3-acetyl-benzo[b]thiophen

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 319.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.1±3.0 kJ/mol
    Flash Point: 147.0±22.3 °C
    Index of Refraction: 1.631
    Molar Refractivity: 57.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.24
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 202.44
    ACD/KOC (pH 5.5): 1557.59
    ACD/LogD (pH 7.4): 3.34
    ACD/BCF (pH 7.4): 202.44
    ACD/KOC (pH 7.4): 1557.59
    Polar Surface Area: 45 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 45.2±3.0 dyne/cm
    Molar Volume: 160.8±3.0 cm3

    Click to predict properties on the Chemicalize site






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