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    Sulfogaiacol

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    2D Structure
    Also known as: Potassium guaiacolsulfonate, 16241-25-1, Potassium 4-hydroxy-3-methoxybenzene-1-sulfonate, Potassium 4-guaiacolsulfonate, Sulfogaiacol, Potassium 4-guaiacolsulfonate [mi]
    Molecular Formula
    C7H7KO5S
    Molecular Weight
    242.29  g/mol
    InChI Key
    QFRKWSPTCBGLSU-UHFFFAOYSA-M
    FDA UNII
    ZL9GA44H2A
    Guaiacolsulfonate is an aromatic sulfonic acid. Potassium guaiacolsulfonate salt is an expectorant that thins the mucus in the lungs and reduces chest congestion.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    potassium;4-hydroxy-3-methoxybenzenesulfonate
    2.1.2 InChI
    InChI=1S/C7H8O5S.K/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1
    2.1.3 InChI Key
    QFRKWSPTCBGLSU-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.[K+]
    2.2 Other Identifiers
    2.2.1 UNII
    ZL9GA44H2A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Guaiacolsulfonate Potassium

    2. Guaiacolsulfonic Acid

    3. Guaiacolsulfonic Acid, Monopotassium Salt

    4. Potassium Guaiacolsulfonate

    5. Thiocol

    2.3.2 Depositor-Supplied Synonyms

    1. Potassium Guaiacolsulfonate

    2. 16241-25-1

    3. Potassium 4-hydroxy-3-methoxybenzene-1-sulfonate

    4. Potassium 4-guaiacolsulfonate

    5. Sulfogaiacol

    6. Potassium 4-guaiacolsulfonate [mi]

    7. Guaiacolsulfonic Acid Potassium Salt

    8. Monopotassium 4-hydroxy-3-methoxybenzenesulfonate

    9. Monopotassium 4-hydroxy-3-methoxybenzenesulphonate

    10. Zl9ga44h2a

    11. 4-hydroxy-3-methyoxybenzenesulfonic Acid, Potassium Salt

    12. Potassium;4-hydroxy-3-methoxybenzenesulfonate

    13. Unii-zl9ga44h2a

    14. Schembl2125540

    15. Chebi:32033

    16. Akos003407104

    17. Akos015914240

    18. Akos037515484

    19. Ccg-266892

    20. Potassium Guaiacolsulfonate [jan]

    21. Potassium4-hydroxy-3-methoxybenzenesulfonate

    22. G0160

    23. D90720

    24. 4-hydroxy-3-methoxybenzenesulfonic Acid Potassium Salt

    25. Q27114752

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 242.29 g/mol
    Molecular Formula C7H7KO5S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass241.96512598 g/mol
    Monoisotopic Mass241.96512598 g/mol
    Topological Polar Surface Area95 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity260
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2