ChemSpider 2D Image | (4S)-2-Ethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid | C11H19NO4S

(4S)-2-Ethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID29312276
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(4S)-2-Ethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-2-Ethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
3,4-Thiazolidinedicarboxylic acid, 2-ethyl-, 3-(1,1-dimethylethyl) ester, (4S)- [ACD/Index Name]
Acide (4S)-2-éthyl-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
[1217515-06-4]
1217515-06-4 [RN]
Boc-(4S,2RS)-2-ethylthiazolidine-4-carboxylic acid
MFCD02682322 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 400.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 195.7±27.9 °C
Index of Refraction: 1.521
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.53
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

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