ChemSpider 2D Image | (2R)-2-(4-Methylphenyl)-1,3-thiazolidine-4-carboxylic acid | C11H13NO2S

(2R)-2-(4-Methylphenyl)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC11H13NO2S
  • Average mass223.291 Da
  • Monoisotopic mass223.066696 Da
  • ChemSpider ID29284960

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-(4-Methylphenyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-(4-Methylphenyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
198991-77-4 [RN]
4-Thiazolidinecarboxylic acid, 2-(4-methylphenyl)-, (2R)- [ACD/Index Name]
Acide (2R)-2-(4-méthylphényl)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(2R)-2-(p-Tolyl)thiazolidine-4-carboxylic acid
(R)-2-p-Tolylthiazolidine-4-carboxylic acid
MFCD10688642 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 444.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.5±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 176.9±3.0 cm3

Click to predict properties on the Chemicalize site


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