ChemSpider 2D Image | Methyl 5-thioxo-L-prolinate | C6H9NO2S

Methyl 5-thioxo-L-prolinate

  • Molecular FormulaC6H9NO2S
  • Average mass159.206 Da
  • Monoisotopic mass159.035400 Da
  • ChemSpider ID21164709

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

285-985-7 [EINECS]
5-Thioxo-L-prolinate de méthyle [French] [ACD/IUPAC Name]
5-Thioxo-L-proline methyl ester
85178-37-6 [RN]
L-Proline, 5-thioxo-, methyl ester [ACD/Index Name]
Methyl 5-thioxo-L-prolinate [ACD/IUPAC Name]
Methyl-5-thioxo-L-prolinat [German] [ACD/IUPAC Name]
(S)-methyl 5-thioxopyrrolidine-2-carboxylate
85178-38-7 [RN]
L-Proline, 5-thioxo-, methyl ester (9CI)
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 224.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.1±3.0 kJ/mol
    Flash Point: 89.7±30.1 °C
    Index of Refraction: 1.552
    Molar Refractivity: 40.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.75
    ACD/LogD (pH 5.5): -0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.14
    ACD/LogD (pH 7.4): -0.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.13
    Polar Surface Area: 70 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 51.7±5.0 dyne/cm
    Molar Volume: 126.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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