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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
See structure as:  Image  Applet
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Formulae Sources
C9H9HgNaO2S ChEBI
C9H9HgO2S.Na KEGG COMPOUND
Net Charge 0
Average Mass 404.81233
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): fungicide
A substance used to destroy fungal pests.
disinfectant
A substance applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
Application(s): fungicide
A substance used to destroy fungal pests.
disinfectant
A substance applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing thimerosal (CHEBI:9546) has part ethylmercurithiosalicylate (CHEBI:33215)
thimerosal (CHEBI:9546) has role disinfectant (CHEBI:48219)
thimerosal (CHEBI:9546) has role fungicide (CHEBI:24127)
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
Database Link Database
C08044 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1677155 Gmelin Registry Number Gmelin
54-64-8 CAS Registry Number ChemIDplus
8169555 Reaxys Registry Number Reaxys
8169555 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
18837732 PubMed citation CiteXplore
21616561 PubMed citation CiteXplore
21785120 PubMed citation CiteXplore
22015977 PubMed citation CiteXplore
22366633 PubMed citation CiteXplore
22658806 PubMed citation CiteXplore
22811707 PubMed citation CiteXplore
23145070 PubMed citation CiteXplore
23223227 PubMed citation CiteXplore
23282150 PubMed citation CiteXplore
23401210 PubMed citation CiteXplore
23554557 PubMed citation CiteXplore
23843785 PubMed citation CiteXplore
23949514 PubMed citation CiteXplore
23965928 PubMed citation CiteXplore
23992327 PubMed citation CiteXplore
Last Modified
25 November 2013

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