Sulfogaiacol

Synopsis, Chemistry

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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

Sulfogaiacol

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 Formula	C₇H₇KO₅S
Molecular Weight	242.29 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	241.96512598 g/mol
Monoisotopic Mass	241.96512598 g/mol
Topological Polar Surface Area	95 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	260
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2