ChemSpider 2D Image | 2-Thiaspiro[3.3]heptan-6-one | C6H8OS

2-Thiaspiro[3.3]heptan-6-one

  • Molecular FormulaC6H8OS
  • Average mass128.192 Da
  • Monoisotopic mass128.029587 Da
  • ChemSpider ID30988133

More details:

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

1523571-94-9 [RN]
2-Thiaspiro[3.3]heptan-6-on [German] [ACD/IUPAC Name]
2-Thiaspiro[3.3]heptan-6-one [ACD/Index Name] [ACD/IUPAC Name]
2-Thiaspiro[3.3]heptan-6-one [French] [ACD/Index Name] [ACD/IUPAC Name]
MFCD27987239 [MDL number]
6-Thiaspiro[3.3]heptan-2-one
Chemistry 14104

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 256.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.4±3.0 kJ/mol
    Flash Point: 136.4±13.0 °C
    Index of Refraction: 1.580
    Molar Refractivity: 33.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.13
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.34
    ACD/KOC (pH 5.5): 42.95
    ACD/LogD (pH 7.4): 0.47
    ACD/BCF (pH 7.4): 1.34
    ACD/KOC (pH 7.4): 42.95
    Polar Surface Area: 42 Å2
    Polarizability: 13.4±0.5 10-24cm3
    Surface Tension: 45.9±5.0 dyne/cm
    Molar Volume: 101.9±5.0 cm3

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