thimerosal (CHEBI:9546)

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ChEBI Name	thimerosal

ChEBI ID	CHEBI:9546

Definition	An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.

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

Supplier Information

Download	Molfile XML SDF

Formulae

C9H9HgNaO2S
C9H9HgO2S.Na

Net Charge

Average Mass

404.81233

Monoisotopic Mass

405.99274

InChI

InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2

InChIKey

RTKIYNMVFMVABJ-UHFFFAOYSA-L

SMILES

[Na+].CC[Hg]Sc1ccccc1C([O-])=O

Roles Classification
Biological Role(s):	drug allergen Any drug which causes the onset of an allergic reaction. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.

Application(s):	drug allergen Any drug which causes the onset of an allergic reaction. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antiseptic drug A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).

ChEBI Ontology
Outgoing	thimerosal (CHEBI:9546) has part ethylmercurithiosalicylate (CHEBI:33215) thimerosal (CHEBI:9546) has role antifungal drug (CHEBI:86327) thimerosal (CHEBI:9546) has role antiseptic drug (CHEBI:48218) thimerosal (CHEBI:9546) has role disinfectant (CHEBI:48219) thimerosal (CHEBI:9546) has role drug allergen (CHEBI:88188) thimerosal (CHEBI:9546) is a alkylmercury compound (CHEBI:33255)

IUPAC Names

sodium [(2-carboxylatophenyl)sulfanyl](ethyl)mercurate(1−)

sodium ethyl[2-(sulfanyl-κS)benzoato(2−)]mercurate(1−)

Synonyms	Sources
[(o-carboxyphenyl)thio]ethylmercury sodium salt	ChemIDplus
ethyl(2-mercaptobenzoato-S)mercury sodium salt	ChemIDplus
ethylmercurithiosalicylate sodium	ChemIDplus
ethylmercurithiosalicylic acid sodium salt	ChEBI
mercurothiolate	ChemIDplus
Merthiolate	KEGG COMPOUND
o-(ethylmercurithio)benzoic acid sodium salt	ChemIDplus
sodium ethylmercurithiosalicylate	ChemIDplus
sodium merthiolate	ChEBI
Thimerosal	KEGG COMPOUND
Thiomersal	ChemIDplus
thiomersalate	ChemIDplus

Last Modified

12 March 2019