ChemSpider 2D Image | TERT-BUTYL (3S)-3-[(2-HYDROXYETHYL)SULFANYL]PYRROLIDINE-1-CARBOXYLATE | C11H21NO3S

TERT-BUTYL (3S)-3-[(2-HYDROXYETHYL)SULFANYL]PYRROLIDINE-1-CARBOXYLATE

  • Molecular FormulaC11H21NO3S
  • Average mass247.354 Da
  • Monoisotopic mass247.124207 Da
  • ChemSpider ID28297594
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-[(2-Hydroxyéthyl)sulfanyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1354001-09-4 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(2-hydroxyethyl)thio]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(2-hydroxyethyl)sulfanyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(2-hydroxyethyl)sulfanyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL (3S)-3-[(2-HYDROXYETHYL)SULFANYL]PYRROLIDINE-1-CARBOXYLATE
(S)-3-(2-Hydroxyethylsulfanyl)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(2-Hydroxy-ethylsulfanyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-((2-hydroxyethyl)thio)pyrrolidine-1-carboxylate
MFCD21092899

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 374.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 180.0±25.1 °C
Index of Refraction: 1.530
Molar Refractivity: 66.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.48
ACD/KOC (pH 5.5): 174.16
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.48
ACD/KOC (pH 7.4): 174.16
Polar Surface Area: 75 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 214.2±5.0 cm3

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