ChemSpider 2D Image | {(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | C15H13NO3S2

{(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid

  • Molecular FormulaC15H13NO3S2
  • Average mass319.399 Da
  • Monoisotopic mass319.033691 Da
  • ChemSpider ID103866949

  • Double-bond stereo - Double-bond stereo

More details:

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

{(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-yliden]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}essigsäure [German] [ACD/IUPAC Name]
{(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid [ACD/IUPAC Name]
3-Thiazolidineacetic acid, 5-[(2E)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-, (5Z)- [ACD/Index Name]
Acide {(5Z)-5-[(2E)-2-méthyl-3-phényl-2-propén-1-ylidène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acétique [French] [ACD/IUPAC Name]
2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
82159-09-9 [RN]
Epalrestat [INN] [JAN] [Wiki]
MFCD00865484 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 516.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 266.4±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.94
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 222.4±5.0 cm3

Click to predict properties on the Chemicalize site


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