ChemSpider 2D Image | 3-(2-Methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid | C9H15NO3S

3-(2-Methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC9H15NO3S
  • Average mass217.285 Da
  • Monoisotopic mass217.077271 Da
  • ChemSpider ID24143467

More details:

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

3-(2-Methylbutanoyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
3-(2-Methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 3-(2-methyl-1-oxobutyl)- [ACD/Index Name]
Acide 3-(2-méthylbutanoyl)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
1103451-86-0 [RN]
MFCD09942307 [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: 432.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 215.5±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 172.7±3.0 cm3

Click to predict properties on the Chemicalize site


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