ChemSpider 2D Image | 4-(Methylsulfonyl)tetrahydro-2H-pyran-4-carbothioamide | C7H13NO3S2

4-(Methylsulfonyl)tetrahydro-2H-pyran-4-carbothioamide

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID35505334

More details:

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

2H-Pyran-4-carbothioamide, tetrahydro-4-(methylsulfonyl)- [ACD/Index Name]
4-(Methylsulfonyl)tetrahydro-2H-pyran-4-carbothioamid [German] [ACD/IUPAC Name]
4-(Methylsulfonyl)tetrahydro-2H-pyran-4-carbothioamide [ACD/IUPAC Name]
4-(Méthylsulfonyl)tétrahydro-2H-pyrane-4-carbothioamide [French] [ACD/IUPAC Name]
1822849-27-3 [RN]
4-Methanesulfonyl-tetrahydro-pyran-4-carbothioic acid amide
4-methylsulfonyloxane-4-carbothioamide
MFCD28146591

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 453.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±3.0 kJ/mol
    Flash Point: 228.2±31.5 °C
    Index of Refraction: 1.579
    Molar Refractivity: 53.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.95
    ACD/LogD (pH 5.5): -0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.74
    ACD/LogD (pH 7.4): -0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 15.74
    Polar Surface Area: 110 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 62.0±5.0 dyne/cm
    Molar Volume: 161.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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