ChemSpider 2D Image | (4S)-2-(4-Ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid | C12H15NO3S

(4S)-2-(4-Ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC12H15NO3S
  • Average mass253.317 Da
  • Monoisotopic mass253.077271 Da
  • ChemSpider ID55817395

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-2-(4-Ethoxyphenyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-(4-Ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-(4-ethoxyphenyl)-, (4S)- [ACD/Index Name]
Acide (4S)-2-(4-éthoxyphényl)-1,3-thiazolidine-4-carboxylique [French] [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: 471.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.9±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 201.2±3.0 cm3

Click to predict properties on the Chemicalize site


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