ChemSpider 2D Image | MFCD19688064 | C5H9NO2S

MFCD19688064

  • Molecular FormulaC5H9NO2S
  • Average mass147.195 Da
  • Monoisotopic mass147.035400 Da
  • ChemSpider ID39530675

More details:

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

1,1-Dioxyde de 1-thia-6-azaspiro[3.3]heptane [French] [ACD/IUPAC Name]
1352546-75-8 [RN]
1-Thia-6-azaspiro[3.3]heptan-1,1-dioxid [German] [ACD/IUPAC Name]
1-Thia-6-azaspiro[3.3]heptane 1,1-dioxide [ACD/IUPAC Name]
1-Thia-6-azaspiro[3.3]heptane, 1,1-dioxide [ACD/Index Name]
MFCD19688064
1-Thia-6-azaspiro[3.3]heptane [ACD/Index Name] [ACD/IUPAC Name]
1-THIA-6-AZA-SPIRO[3.3]HEPTANE-1,1-DIOXIDE
1λ6-thia-6-azaspiro[3.3]heptane-1,1-dione

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 377.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 182.1±25.9 °C
    Index of Refraction: 1.572
    Molar Refractivity: 33.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.20
    ACD/LogD (pH 5.5): -2.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.46
    Polar Surface Area: 55 Å2
    Polarizability: 13.3±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 102.1±5.0 cm3

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