ChemSpider 2D Image | 6-Thia-1-azaspiro[3.3]heptane 6,6-dioxide | C5H9NO2S

6-Thia-1-azaspiro[3.3]heptane 6,6-dioxide

  • Molecular FormulaC5H9NO2S
  • Average mass147.195 Da
  • Monoisotopic mass147.035400 Da
  • ChemSpider ID25182168

More details:

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

1272412-71-1 [RN]
6,6-Dioxyde de 6-thia-1-azaspiro[3.3]heptane [French] [ACD/IUPAC Name]
6-Thia-1-azaspiro[3.3]heptan-6,6-dioxid [German] [ACD/IUPAC Name]
6-Thia-1-azaspiro[3.3]heptane 6,6-dioxide [ACD/IUPAC Name]
6-Thia-1-azaspiro[3.3]heptane, 6,6-dioxide [ACD/Index Name]
MFCD18782893 [MDL number]
[1272412-71-1] [RN]
127241-27-4 [RN]
1392804-12-4 [RN]
6,6-Dioxo-6-thia-1-azaspiro[3.3]heptane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    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: -1.63
    ACD/LogD (pH 5.5): -2.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.09
    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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