ChemSpider 2D Image | Heptyl 3-[(5E)-5-{3-[3-(heptyloxy)-3-oxopropyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate | C26H38N2O6S4

Heptyl 3-[(5E)-5-{3-[3-(heptyloxy)-3-oxopropyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate

  • Molecular FormulaC26H38N2O6S4
  • Average mass602.850 Da
  • Monoisotopic mass602.161255 Da
  • ChemSpider ID4899008

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(5E)-5-{3-[3-(Heptyloxy)-3-oxopropyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate d'heptyle [French] [ACD/IUPAC Name]
3-Thiazolidinepropanoic acid, 5-[3-[3-(heptyloxy)-3-oxopropyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-, heptyl ester, (5E)- [ACD/Index Name]
Heptyl 3-[(5E)-5-{3-[3-(heptyloxy)-3-oxopropyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate [ACD/IUPAC Name]
Heptyl-3-[(5E)-5-{3-[3-(heptyloxy)-3-oxopropyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoat [German] [ACD/IUPAC Name]
303027-36-3 [RN]
heptyl 3-(5-{3-[2-(heptyloxycarbonyl)ethyl]-4-oxo-2-thioxo(1,3-thiazolidin-5-ylidene)}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoate
heptyl 3-[(5E)-5-[3-(3-heptoxy-3-oxopropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 623.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.3±3.0 kJ/mol
    Flash Point: 330.9±34.3 °C
    Index of Refraction: 1.612
    Molar Refractivity: 159.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 20
    #Rule of 5 Violations: 2
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 5.97
    ACD/BCF (pH 5.5): 20367.51
    ACD/KOC (pH 5.5): 42259.48
    ACD/LogD (pH 7.4): 5.97
    ACD/BCF (pH 7.4): 20367.51
    ACD/KOC (pH 7.4): 42259.48
    Polar Surface Area: 208 Å2
    Polarizability: 63.3±0.5 10-24cm3
    Surface Tension: 65.1±5.0 dyne/cm
    Molar Volume: 459.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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