ChemSpider 2D Image | (4R)-3-[(2R)-2-Methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid | C8H13NO3S2

(4R)-3-[(2R)-2-Methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC8H13NO3S2
  • Average mass235.324 Da
  • Monoisotopic mass235.033676 Da
  • ChemSpider ID24707861

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-3-[(2R)-2-Methyl-3-sulfanylpropanoyl]-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4R)-3-[(2R)-2-Methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 3-[(2R)-3-mercapto-2-methyl-1-oxopropyl]-, (4R)- [ACD/Index Name]
Acide (4R)-3-[(2R)-2-méthyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498708/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 483.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 246.5±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 170.2±3.0 cm3

Click to predict properties on the Chemicalize site


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