4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	4-hydroxy-3-methoxybenzene-1-sulfonic acid

ChEBI ID	CHEBI:85537

Definition	An arenesulfonic acid that is guaiacol sulfated at position 4. Commonly used (in the form of its potassium salt) as an expectorant.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C7H8O5S

Net Charge

Average Mass

204.20000

Monoisotopic Mass

204.00924

InChI

InChI=1S/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)

InChIKey

QDRCGSIKAHSALR-UHFFFAOYSA-N

SMILES

COc1cc(ccc1O)S(O)(=O)=O

Roles Classification
Application(s):	expectorant Compounds that are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. Compare with mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration, and antitussives, which suppress the cough reflex.

ChEBI Ontology
Outgoing	4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537) has functional parent guaiacol (CHEBI:28591) 4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537) has role expectorant (CHEBI:77035) 4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537) is a arenesulfonic acid (CHEBI:33555) 4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537) is a guaiacols (CHEBI:134251) 4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537) is conjugate acid of 4-hydroxy-3-methoxybenzene-1-sulfonate (CHEBI:85539)

Incoming	4-hydroxy-3-methoxybenzene-1-sulfonate (CHEBI:85539) is conjugate base of 4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537)

IUPAC Name

4-hydroxy-3-methoxybenzene-1-sulfonic acid

Synonyms	Sources
4-Hydroxy-3-methoxybenzenesulfonic acid	ChEBI
4-Hydroxy-3-methoxybenzenesulphonic acid	ChemIDplus
Guaiacolsulfonic acid	ChemIDplus
Sulfogaiacol	ChemIDplus

Last Modified

07 April 2017