ChemSpider 2D Image | 3-{[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}-1,2-propanediol | C7H14O5S2

3-{[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}-1,2-propanediol

  • Molecular FormulaC7H14O5S2
  • Average mass242.313 Da
  • Monoisotopic mass242.028259 Da
  • ChemSpider ID58217548

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,2-Propanediol, 3-[[(3S,4R)-tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl]thio]- [ACD/Index Name]
3-{[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}-1,2-propandiol [German] [ACD/IUPAC Name]
3-{[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}-1,2-propanediol [ACD/IUPAC Name]
3-{[(3S,4R)-4-Hydroxy-1,1-dioxydotétrahydro-3-thiophényl]sulfanyl}-1,2-propanediol [French] [ACD/IUPAC Name]
(3S,4R)-3-[(2,3-dihydroxypropyl)sulfanyl]-4-hydroxy-1??-thiolane-1,1-dione
(3s,4r)-3-[(2,3-dihydroxypropyl)sulfanyl]-4-hydroxy-1λ6-thiolane-1,1-dione
2166459-97-6 [RN]
3-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]sulfanylpropane-1,2-diol
MFCD30492984

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 605.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 103.3±6.0 kJ/mol
    Flash Point: 320.3±31.5 °C
    Index of Refraction: 1.613
    Molar Refractivity: 53.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -2.83
    ACD/LogD (pH 5.5): -2.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.82
    ACD/LogD (pH 7.4): -2.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.82
    Polar Surface Area: 129 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 77.2±5.0 dyne/cm
    Molar Volume: 154.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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