ChemSpider 2D Image | 5-[(4-Hydroxybenzo[b]thien-7-yl)methyl]-2,4-thiazolidinedione | C12H9NO3S2

5-[(4-Hydroxybenzo[b]thien-7-yl)methyl]-2,4-thiazolidinedione

  • Molecular FormulaC12H9NO3S2
  • Average mass279.335 Da
  • Monoisotopic mass279.002380 Da
  • ChemSpider ID57580279

More details:

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

2,4-Thiazolidinedione, 5-[(4-hydroxybenzo[b]thien-7-yl)methyl]- [ACD/Index Name]
213455-13-1 [RN]
5-[(4-Hydroxy-1-benzothiophen-7-yl)methyl]-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
5-[(4-Hydroxy-1-benzothiophen-7-yl)methyl]-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
5-[(4-Hydroxy-1-benzothiophén-7-yl)méthyl]-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
5-[(4-Hydroxybenzo[b]thien-7-yl)methyl]-2,4-thiazolidinedione
5-((4-Hydroxybenzo[b]thiophen-7-yl)methyl)thiazolidine-2,4-dione
5-?[(4-?hydroxybenzo[b]?thien-?7-?yl)?methyl]?- 2,?4-?Thiazolidinedione
MFCD30471419

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 569.4±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.6±3.0 kJ/mol
    Flash Point: 298.2±24.6 °C
    Index of Refraction: 1.758
    Molar Refractivity: 72.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 19.94
    ACD/KOC (pH 5.5): 282.47
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 1.69
    ACD/KOC (pH 7.4): 23.95
    Polar Surface Area: 120 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 78.4±3.0 dyne/cm
    Molar Volume: 177.5±3.0 cm3

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