ChemSpider 2D Image | MFCD00070265 | C11H19NO4S

MFCD00070265

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID23894777
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-5,5-Dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-5,5-Dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
112898-19-8 [RN]
3-(1,1-Dimethylethyl) (4S)-5,5-dimethyl-3,4-thiazolidinedicarboxylate
3,4-Thiazolidinedicarboxylic acid, 5,5-dimethyl-, 3-(1,1-dimethylethyl) ester, (4S)- [ACD/Index Name]
Acide (4S)-5,5-diméthyl-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
MFCD00070265
(S)-3-(tert-Butoxycarbonyl)-5,5-dimethylthiazolidine-4-carboxylic acid
(S)-Boc-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
3,4-Thiazolidinedicarboxylicacid, 5,5-dimethyl-, 3-(1,1-dimethylethyl) ester, (4S)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 386.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 187.5±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): -1.63
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: 43.6±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

Click to predict properties on the Chemicalize site






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