ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate | C11H19NO4S

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID34066486
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,4S)-4-Sulfanyl-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-mercapto-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S,4S)-4-sulfanyl-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(4S)-1-Boc-4-mercapto-L-proline methyl ester
1-(tert-butyl) 2-methyl (2S,4S)-4-mercaptopyrrolidine-1,2-dicarboxylate
1252640-74-6 [RN]
1438241-12-3 [RN]
1675245-21-2 [RN]
1-tert-butyl 2-methyl (2s,4s)-4-sulfanylpyrrolidine-1,2-dicarboxylate
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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: 336.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 157.4±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.44
ACD/KOC (pH 5.5): 269.35
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.39
ACD/KOC (pH 7.4): 268.62
Polar Surface Area: 95 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 220.9±5.0 cm3

Click to predict properties on the Chemicalize site






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