ChemSpider 2D Image | 3-Thiazolidineacetic acid, 2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-, ethyl ester | C12H14N2O4S3

3-Thiazolidineacetic acid, 2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-, ethyl ester

  • Molecular FormulaC12H14N2O4S3
  • Average mass346.446 Da
  • Monoisotopic mass346.011566 Da
  • ChemSpider ID30689920

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-2-(3-Éthyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)-4-oxo-1,3-thiazolidin-3-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1309456-13-0 [RN]
3-Thiazolidineacetic acid, 2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-, ethyl ester
3-Thiazolidineacetic acid, 2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl [(2Z)-2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate [ACD/IUPAC Name]
Ethyl-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)-4-oxo-1,3-thiazolidin-3-yl]acetat [German] [ACD/IUPAC Name]
(Z)-ethyl 2-(3'-ethyl-4,4'-dioxo-2'-thioxo-3',4,4',5-tetrahydro-2'H,3H-[2,5'-bithiazolylidene]-3-yl)acetate
3-Thiazolidineacetic acid,2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-,ethyl ester
CS-14369
MFCD22571219

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

Density: 1.5±0.1 g/cm3
Boiling Point: 456.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.7±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 69.95
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 69.95
Polar Surface Area: 150 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 225.7±5.0 cm3

Click to predict properties on the Chemicalize site


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