ChemSpider 2D Image | (4S)-2-(3-Methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid | C11H13NO3S

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

  • Molecular FormulaC11H13NO3S
  • Average mass239.291 Da
  • Monoisotopic mass239.061615 Da
  • ChemSpider ID55817299

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-2-(3-Methoxyphenyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-(3-Methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-(3-methoxyphenyl)-, (4S)- [ACD/Index Name]
Acide (4S)-2-(3-méthoxyphényl)-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: 462.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.3±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 184.7±3.0 cm3

Click to predict properties on the Chemicalize site


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