ChemSpider 2D Image | Isobutyl 6-{(5Z)-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-{(5Z)-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 ID31017497

  • 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, (5Z)- [ACD/Index Name]
6-{(5Z)-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-{(5Z)-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-{(5Z)-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]

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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