ChemSpider 2D Image | 2,2-Dimethyl-3-thiomorpholinone 1,1-dioxide | C6H11NO3S

2,2-Dimethyl-3-thiomorpholinone 1,1-dioxide

  • Molecular FormulaC6H11NO3S
  • Average mass177.221 Da
  • Monoisotopic mass177.045959 Da
  • ChemSpider ID29204256

More details:

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

1,1-Dioxyde de 2,2-diméthyl-3-thiomorpholinone [French] [ACD/IUPAC Name]
2,2-Dimethyl-3-thiomorpholinon-1,1-dioxid [German] [ACD/IUPAC Name]
2,2-Dimethyl-3-thiomorpholinone 1,1-dioxide [ACD/IUPAC Name]
3-Thiomorpholinone, 2,2-dimethyl-, 1,1-dioxide [ACD/Index Name]
2,2-dimethyl-1,1-dioxo-1,4-thiazinan-3-one
2,2-dimethylthiomorpholin-3-one 1,1-dioxide
89676-88-0 [RN]
MFCD23131219 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 461.5±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 232.9±26.8 °C
    Index of Refraction: 1.473
    Molar Refractivity: 40.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.24
    ACD/LogD (pH 5.5): -1.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.18
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.18
    Polar Surface Area: 72 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 35.0±3.0 dyne/cm
    Molar Volume: 144.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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