ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-hydroxy-3-(sulfanylmethyl)-1-pyrrolidinecarboxylate | C10H19NO3S

2-Methyl-2-propanyl (3S)-3-hydroxy-3-(sulfanylmethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC10H19NO3S
  • Average mass233.328 Da
  • Monoisotopic mass233.108566 Da
  • ChemSpider ID108523790
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Hydroxy-3-(sulfanylméthyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-hydroxy-3-(mercaptomethyl)-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-hydroxy-3-(sulfanylmethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-hydroxy-3-(sulfanylmethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 341.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 160.4±23.7 °C
Index of Refraction: 1.529
Molar Refractivity: 60.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.05
ACD/KOC (pH 5.5): 181.49
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.02
ACD/KOC (pH 7.4): 181.10
Polar Surface Area: 89 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 197.5±3.0 cm3

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