ChemSpider 2D Image | Methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate 5,5-dioxide | C8H13NO4S

Methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate 5,5-dioxide

  • Molecular FormulaC8H13NO4S
  • Average mass219.258 Da
  • Monoisotopic mass219.056534 Da
  • ChemSpider ID57421395

More details:

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

1823871-37-9 [RN]
5,5-Dioxyde de -5-thia-2-azaspiro[3.4]octane-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thia-2-azaspiro[3.4]octane-8-carboxylic acid, methyl ester, 5,5-dioxide [ACD/Index Name]
Methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate 5,5-dioxide [ACD/IUPAC Name]
Methyl-5-thia-2-azaspiro[3.4]octan-8-carboxylat-5,5-dioxid [German] [ACD/IUPAC Name]
methyl 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylate
methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate 5,5-dioxide(wx101841)
MFCD27997301

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 418.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.2±3.0 kJ/mol
    Flash Point: 207.0±28.7 °C
    Index of Refraction: 1.546
    Molar Refractivity: 49.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.64
    ACD/LogD (pH 5.5): -1.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.62
    ACD/LogD (pH 7.4): -0.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.50
    Polar Surface Area: 81 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 52.5±5.0 dyne/cm
    Molar Volume: 155.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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