ChemSpider 2D Image | 4,5-Dihydrothieno[2,3-e][1]benzothiophene-2-carboxylic acid | C11H8O2S2

4,5-Dihydrothieno[2,3-e][1]benzothiophene-2-carboxylic acid

  • Molecular FormulaC11H8O2S2
  • Average mass236.310 Da
  • Monoisotopic mass235.996567 Da
  • ChemSpider ID27420231

More details:

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

4,5-Dihydrothieno[2,3-e][1]benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
4,5-Dihydrothieno[2,3-e][1]benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 4,5-dihydrothiéno[2,3-e][1]benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[1,2-b:3,4-b']dithiophene-2-carboxylic acid, 4,5-dihydro- [ACD/Index Name]
26268-08-6 [RN]
4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxylic acid
MFCD14281972 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 467.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.9±3.0 kJ/mol
    Flash Point: 236.7±27.3 °C
    Index of Refraction: 1.718
    Molar Refractivity: 62.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 12.60
    ACD/KOC (pH 5.5): 69.93
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.37
    Polar Surface Area: 94 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 69.7±3.0 dyne/cm
    Molar Volume: 157.6±3.0 cm3

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