ChemSpider 2D Image | (3R,4S)-4-[(4-Methoxyphenyl)sulfanyl]tetrahydro-3-thiopheneol 1,1-dioxide | C11H14O4S2

(3R,4S)-4-[(4-Methoxyphenyl)sulfanyl]tetrahydro-3-thiopheneol 1,1-dioxide

  • Molecular FormulaC11H14O4S2
  • Average mass274.357 Da
  • Monoisotopic mass274.033356 Da
  • ChemSpider ID58217538

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S) 1,1-Dioxyde de 4-[(4-méthoxyphényl)sulfanyl]tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
(3R,4S)-4-[(4-Methoxyphenyl)sulfanyl]tetrahydro-3-thiopheneol 1,1-dioxide [ACD/IUPAC Name]
(3R,4S)-4-[(4-Methoxyphenyl)sulfanyl]tetrahydro-3-thiophenol-1,1-dioxid [German] [ACD/IUPAC Name]
3-Thiopheneol, tetrahydro-4-[(4-methoxyphenyl)thio]-, 1,1-dioxide, (3R,4S)- [ACD/Index Name]
(3R,4S)-3-hydroxy-4-[(4-methoxyphenyl)sulfanyl]-1??-thiolane-1,1-dione
(3r,4s)-3-hydroxy-4-[(4-methoxyphenyl)sulfanyl]-1λ6-thiolane-1,1-dione
(3R,4S)-4-(4-methoxyphenyl)sulfanyl-1,1-dioxothiolan-3-ol
MFCD30492974

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 535.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±3.0 kJ/mol
    Flash Point: 277.9±30.1 °C
    Index of Refraction: 1.626
    Molar Refractivity: 67.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.61
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 2.43
    ACD/KOC (pH 5.5): 65.67
    ACD/LogD (pH 7.4): 0.81
    ACD/BCF (pH 7.4): 2.43
    ACD/KOC (pH 7.4): 65.67
    Polar Surface Area: 97 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 61.9±5.0 dyne/cm
    Molar Volume: 191.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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