thimerosal

CHEBI:9546 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

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

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:33255

Chemical structure

Computed structure properties
Molecular formula	C9H9HgO2S.Na
Charge	0
Average mass	404.816 Da
Monoisotopic mass	405.99274 Da
Source	ChEBI
InChIKey	RTKIYNMVFMVABJ-UHFFFAOYSA-L

SMILES

C[CH2][Hg][S]c1ccccc1C(=O)[O-].[Na+]

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

Also called

thiomersal (INN)— chebi
thiomersalum (INN)— chebi
tiomersal (INN)— chebi
sodium [(2-carboxylatophenyl)sulfanyl](ethyl)mercurate(1−) (EXACT_SYNONYM)— chebi
sodium ethyl[2-(sulfanyl-κS)benzoato(2−)]mercurate(1−) (EXACT_SYNONYM)— chebi
Merthiolate (EXACT_SYNONYM)— chebi
Thimerosal (EXACT_SYNONYM)— chebi
Thiomersal (EXACT_SYNONYM)— chebi
[(o-carboxyphenyl)thio]ethylmercury sodium salt (EXACT_SYNONYM)— chebi
ethyl(2-mercaptobenzoato-S)mercury sodium salt (EXACT_SYNONYM)— chebi
ethylmercurithiosalicylate sodium (EXACT_SYNONYM)— chebi
ethylmercurithiosalicylic acid sodium salt (EXACT_SYNONYM)— chebi
mercurothiolate (EXACT_SYNONYM)— chebi
o-(ethylmercurithio)benzoic acid sodium salt (EXACT_SYNONYM)— chebi
sodium ethylmercurithiosalicylate (EXACT_SYNONYM)— chebi
sodium merthiolate (EXACT_SYNONYM)— chebi
thiomersalate (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:54-64-8
gmelin:1677155
ppdb:3062
reaxys:8169555
vsdb:3062

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

kegg.drug:D00864

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

disinfectant CHEBI:48219
antifungal drug CHEBI:86327

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:9546`	thimerosal	`antibioticmech:chebi-37c193f8ea`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-02 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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