ChemSpider 2D Image | 4H-Thieno[3,2-c]thiochromene-2-carboxylic acid | C12H8O2S2

4H-Thieno[3,2-c]thiochromene-2-carboxylic acid

  • Molecular FormulaC12H8O2S2
  • Average mass248.321 Da
  • Monoisotopic mass247.996567 Da
  • ChemSpider ID23373800

More details:

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

26268-05-3 [RN]
4H-Thieno[3,2-c][1]benzothiopyran-2-carboxylic acid [ACD/Index Name]
4H-Thieno[3,2-c]thiochromen-2-carbonsäure [German] [ACD/IUPAC Name]
4H-Thieno[3,2-c]thiochromene-2-carboxylic acid [ACD/IUPAC Name]
Acide 4H-thiéno[3,2-c]thiochromène-2-carboxylique [French] [ACD/IUPAC Name]
MFCD10692712 [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: 518.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 267.1±28.7 °C
    Index of Refraction: 1.736
    Molar Refractivity: 67.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.81
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 14.14
    ACD/KOC (pH 5.5): 66.64
    ACD/LogD (pH 7.4): 1.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.59
    Polar Surface Area: 91 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 71.7±3.0 dyne/cm
    Molar Volume: 167.6±3.0 cm3

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