ChemSpider 2D Image | (3S,4S)-4-(Cyclohexylamino)tetrahydro-3-thiopheneol 1,1-dioxide | C10H19NO3S

(3S,4S)-4-(Cyclohexylamino)tetrahydro-3-thiopheneol 1,1-dioxide

  • Molecular FormulaC10H19NO3S
  • Average mass233.328 Da
  • Monoisotopic mass233.108566 Da
  • ChemSpider ID58216456

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S) 1,1-Dioxyde de 4-(cyclohexylamino)tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
(3S,4S)-4-(Cyclohexylamino)tetrahydro-3-thiopheneol 1,1-dioxide [ACD/IUPAC Name]
(3S,4S)-4-(Cyclohexylamino)tetrahydro-3-thiophenol-1,1-dioxid [German] [ACD/IUPAC Name]
3-Thiopheneol, 4-(cyclohexylamino)tetrahydro-, 1,1-dioxide, (3S,4S)- [ACD/Index Name]
(3S,4S)-3-(cyclohexylamino)-4-hydroxy-1??-thiolane-1,1-dione
(3s,4s)-3-(cyclohexylamino)-4-hydroxy-1λ6-thiolane-1,1-dione
2165472-33-1 [RN]
MFCD30495773

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 458.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.9±6.0 kJ/mol
    Flash Point: 231.1±28.7 °C
    Index of Refraction: 1.547
    Molar Refractivity: 58.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.07
    ACD/LogD (pH 5.5): -1.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.40
    Polar Surface Area: 75 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 51.1±5.0 dyne/cm
    Molar Volume: 183.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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