ChemSpider 2D Image | Methyl (4S)-3-acetyl-1,3-thiazolidine-4-carboxylate 1,1-dioxide | C7H11NO5S

Methyl (4S)-3-acetyl-1,3-thiazolidine-4-carboxylate 1,1-dioxide

  • Molecular FormulaC7H11NO5S
  • Average mass221.231 Da
  • Monoisotopic mass221.035797 Da
  • ChemSpider ID23928898

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S) 1,1-Dioxyde de 3-acétyl-1,3-thiazolidine-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 3-acetyl-, methyl ester, 1,1-dioxide, (4S)- [ACD/Index Name]
Methyl (4S)-3-acetyl-1,3-thiazolidine-4-carboxylate 1,1-dioxide [ACD/IUPAC Name]
Methyl-(4S)-3-acetyl-1,3-thiazolidin-4-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
(S)-methyl 3-acetylthiazolidine-4-carboxylate 1,1-dioxide
1395043-49-8 [RN]
AG-793/36885010
GRIMVZZBHMFBTP-ZCFIWIBFSA-N
MCULE-3349931932
methyl (4S)-3-acetyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 469.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 237.9±28.7 °C
    Index of Refraction: 1.518
    Molar Refractivity: 47.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.45
    ACD/LogD (pH 5.5): -1.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.18
    ACD/LogD (pH 7.4): -1.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.18
    Polar Surface Area: 89 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 155.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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