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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