ChemSpider 2D Image | Methyl (1,1-dioxidotetrahydro-2H-thiopyran-4-yl)acetate | C8H14O4S

Methyl (1,1-dioxidotetrahydro-2H-thiopyran-4-yl)acetate

  • Molecular FormulaC8H14O4S
  • Average mass206.259 Da
  • Monoisotopic mass206.061279 Da
  • ChemSpider ID30805498

More details:

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

(1,1-Dioxydotétrahydro-2H-thiopyrane-4-yl)acétate de méthyle [French] [ACD/IUPAC Name]
1419101-16-8 [RN]
2H-Thiopyran-4-acetic acid, tetrahydro-, methyl ester, 1,1-dioxide [ACD/Index Name]
Methyl (1,1-dioxidotetrahydro-2H-thiopyran-4-yl)acetate [ACD/IUPAC Name]
Methyl-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)acetat [German] [ACD/IUPAC Name]
MFCD23106384 [MDL number]
Chemistry 13643
Methyl 2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)acetate
methyl 2-(1,1-dioxo-1l6-thian-4-yl)acetate
methyl 2-(1,1-dioxo-1λ{6}-thian-4-yl)acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 358.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 170.4±20.4 °C
    Index of Refraction: 1.471
    Molar Refractivity: 47.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.39
    ACD/LogD (pH 5.5): -0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.03
    ACD/LogD (pH 7.4): -0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 22.03
    Polar Surface Area: 69 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 37.3±3.0 dyne/cm
    Molar Volume: 170.6±3.0 cm3

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