ChemSpider 2D Image | 4-Benzyltetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide | C13H16O4S

4-Benzyltetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

  • Molecular FormulaC13H16O4S
  • Average mass268.329 Da
  • Monoisotopic mass268.076935 Da
  • ChemSpider ID35328904

More details:

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

1707358-42-6 [RN]
2H-Thiopyran-4-carboxylic acid, tetrahydro-4-(phenylmethyl)-, 1,1-dioxide [ACD/Index Name]
4-Benzyltetrahydro-2H-thiopyran-4-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
4-Benzyltetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
Acide 1,1-dioxyde de 4-benzyltétrahydro-2H-thiopyrane-4-carboxylique [French] [ACD/IUPAC Name]
4-Benzyl-1,1-dioxo-1λ(6)-thiane-4-carboxylic acid
KS-8696
MFCD27995802

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 514.8±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 265.1±28.2 °C
    Index of Refraction: 1.584
    Molar Refractivity: 67.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.16
    ACD/LogD (pH 5.5): -0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.39
    ACD/LogD (pH 7.4): -1.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 202.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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