ChemSpider 2D Image | Isobutyl 6-{(5E)-5-[3-(6-isobutoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoate | C26H38N2O6S4

Isobutyl 6-{(5E)-5-[3-(6-isobutoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoate

  • Molecular FormulaC26H38N2O6S4
  • Average mass602.850 Da
  • Monoisotopic mass602.161255 Da
  • ChemSpider ID2351654

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thiazolidinehexanoic acid, 5-[3-[6-(2-methylpropoxy)-6-oxohexyl]-4-oxo-2-thioxo-5-thiazolidinylidene]-4-oxo-2-thioxo-, 2-methylpropyl ester, (5E)- [ACD/Index Name]
6-{(5E)-5-[3-(6-Isobutoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 6-{(5E)-5-[3-(6-isobutoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoate [ACD/IUPAC Name]
Isobutyl-6-{(5E)-5-[3-(6-isobutoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoat [German] [ACD/IUPAC Name]
(E)-diisobutyl 6,6'-(4,4'-dioxo-2,2'-dithioxo-2H,2'H-[5,5'-bithiazolylidene]-3,3'(4H,4'H)-diyl)dihexanoate
2-methylpropyl 6-[(5E)-5-[3-[6-(2-methylpropoxy)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
330685-05-7 [RN]
5,5'-bis[3-(6-isobutoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]
OHVBIKDHKJIJQE-QURGRASLSA-N

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

AG-690/08695012 [DBID]
BAS 00247700 [DBID]
ZINC06134786 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 603.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.7±3.0 kJ/mol
    Flash Point: 318.5±34.3 °C
    Index of Refraction: 1.610
    Molar Refractivity: 159.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 1
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 3.62
    ACD/BCF (pH 5.5): 331.83
    ACD/KOC (pH 5.5): 2218.57
    ACD/LogD (pH 7.4): 3.62
    ACD/BCF (pH 7.4): 331.83
    ACD/KOC (pH 7.4): 2218.57
    Polar Surface Area: 208 Å2
    Polarizability: 63.3±0.5 10-24cm3
    Surface Tension: 63.6±5.0 dyne/cm
    Molar Volume: 460.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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