ChemSpider 2D Image | (1,1-dioxo-1??-thian-4-yl)methyl methanesulfonate | C7H14O5S2

(1,1-dioxo-1??-thian-4-yl)methyl methanesulfonate

  • Molecular FormulaC7H14O5S2
  • Average mass242.313 Da
  • Monoisotopic mass242.028259 Da
  • ChemSpider ID58257194

More details:

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

(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methyl methanesulfonate [ACD/IUPAC Name]
(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methyl-methansulfonat [German] [ACD/IUPAC Name]
(1,1-dioxo-1??-thian-4-yl)methyl methanesulfonate
1010836-46-0 [RN]
2H-Thiopyran-4-methanol, tetrahydro-, methanesulfonate, 1,1-dioxide [ACD/Index Name]
Méthanesulfonate de (1,1-dioxydotétrahydro-2H-thiopyrane-4-yl)méthyle [French] [ACD/IUPAC Name]
(1,1-dioxo-1λ⁶-thian-4-yl)methyl methanesulfonate
(1,1-Dioxotetrahydrothiopyran-4-yl)methyl methanesulfonate
CS(=O)(=O)OCC1CCS(=O)(=O)CC1
MFCD22418506

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 495.6±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 253.5±21.2 °C
    Index of Refraction: 1.493
    Molar Refractivity: 51.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.13
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.96
    ACD/LogD (pH 7.4): -0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.96
    Polar Surface Area: 94 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 44.5±3.0 dyne/cm
    Molar Volume: 178.0±3.0 cm3

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