ChemSpider 2D Image | (3R,4S)-4-(Isopropylsulfanyl)tetrahydro-3-thiopheneol 1,1-dioxide | C7H14O3S2

(3R,4S)-4-(Isopropylsulfanyl)tetrahydro-3-thiopheneol 1,1-dioxide

  • Molecular FormulaC7H14O3S2
  • Average mass210.314 Da
  • Monoisotopic mass210.038437 Da
  • ChemSpider ID58217550

  • 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-(isopropylsulfanyl)tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
(3R,4S)-4-(Isopropylsulfanyl)tetrahydro-3-thiopheneol 1,1-dioxide [ACD/IUPAC Name]
(3R,4S)-4-(Isopropylsulfanyl)tetrahydro-3-thiophenol-1,1-dioxid [German] [ACD/IUPAC Name]
3-Thiopheneol, tetrahydro-4-[(1-methylethyl)thio]-, 1,1-dioxide, (3R,4S)- [ACD/Index Name]
(3R,4S)-3-hydroxy-4-(propan-2-ylsulfanyl)-1??-thiolane-1,1-dione
(3r,4s)-3-hydroxy-4-(propan-2-ylsulfanyl)-1λ6-thiolane-1,1-dione
2165796-10-9 [RN]
MFCD30492986

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 425.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.6±6.0 kJ/mol
    Flash Point: 211.4±28.7 °C
    Index of Refraction: 1.550
    Molar Refractivity: 50.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.46
    ACD/LogD (pH 5.5): -0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.34
    ACD/LogD (pH 7.4): -0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.34
    Polar Surface Area: 88 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 50.1±5.0 dyne/cm
    Molar Volume: 159.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement