ChemSpider 2D Image | 4-(2-Methoxybenzyl)tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide | C14H18O5S

4-(2-Methoxybenzyl)tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide

  • Molecular FormulaC14H18O5S
  • Average mass298.355 Da
  • Monoisotopic mass298.087494 Da
  • ChemSpider ID38239141

More details:

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

2H-Thiopyran-4-carboxylic acid, tetrahydro-4-[(2-methoxyphenyl)methyl]-, 1,1-dioxide [ACD/Index Name]
4-(2-Methoxybenzyl)tetrahydro-2H-thiopyran-4-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
4-(2-Methoxybenzyl)tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
Acide 1,1-dioxyde de 4-(2-méthoxybenzyl)tétrahydro-2H-thiopyrane-4-carboxylique [French] [ACD/IUPAC Name]
2197054-60-5 [RN]
4-[(2-Methoxyphenyl)methyl]-1,1-dioxo-1λ(6)-thiane-4-carboxylic acid
KS-9625
MFCD29038679

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 533.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±3.0 kJ/mol
    Flash Point: 276.2±27.3 °C
    Index of Refraction: 1.568
    Molar Refractivity: 74.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.84
    ACD/LogD (pH 7.4): -2.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 226.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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