ChemSpider 2D Image | MSDC-0602 | C19H17NO5S

MSDC-0602

  • Molecular FormulaC19H17NO5S
  • Average mass371.407 Da
  • Monoisotopic mass371.082733 Da
  • ChemSpider ID32698412

More details:

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

1133819-87-0 [RN]
2,4-Thiazolidinedione, 5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]- [ACD/Index Name]
5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
5-{4-[2-(3-Methoxyphenyl)-2-oxoethoxy]benzyl}-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
5-{4-[2-(3-Methoxyphenyl)-2-oxoethoxy]benzyl}-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
5-{4-[2-(3-Méthoxyphényl)-2-oxoéthoxy]benzyl}-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
81MXZ6QOBM
MSDC-0602
UNII:81MXZ6QOBM
5-(4-(2-(3-Methoxyphenyl)-2-oxoethoxy)benzyl)thiazolidine-2,4-dione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 608.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.4±3.0 kJ/mol
    Flash Point: 321.6±27.3 °C
    Index of Refraction: 1.617
    Molar Refractivity: 97.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 50.45
    ACD/KOC (pH 5.5): 553.91
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 5.01
    ACD/KOC (pH 7.4): 55.03
    Polar Surface Area: 107 Å2
    Polarizability: 38.7±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 279.4±3.0 cm3

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