ChemSpider 2D Image | Methyl 6-[(5E)-5-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate | C25H34N2O6S2

Methyl 6-[(5E)-5-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate

  • Molecular FormulaC25H34N2O6S2
  • Average mass522.677 Da
  • Monoisotopic mass522.185852 Da
  • ChemSpider ID12143525

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thiazolidinehexanoic acid, 5-[[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylene]-4-oxo-2-thioxo-, methyl ester, (5E)- [ACD/Index Name]
6-[(5E)-5-{4-[2-(Diéthylamino)-2-oxoéthoxy]-3-éthoxybenzylidène}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-[(5E)-5-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate [ACD/IUPAC Name]
Methyl-6-[(5E)-5-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxybenzyliden}-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: 651.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.6±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.27
ACD/KOC (pH 5.5): 831.76
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.27
ACD/KOC (pH 7.4): 831.76
Polar Surface Area: 143 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 413.8±5.0 cm3

Click to predict properties on the Chemicalize site


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