AntibioticMech

thimerosal

CHEBI:9546 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

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

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:33255 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

Equivalent identifiers for this same structure in other resources.

• cas:54-64-8
• gmelin:1677155
• kegg.drug:D00864
• ppdb:3062
• reaxys:8169555
• vsdb:3062

Activity roles

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

• CHEBI:48219 CHEBI:48219
• CHEBI:86327 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

Molecular targets

The molecular entity or process this compound acts on. Each target carries evidence — this is a mechanistic claim, not a classification.

Replicase polyprotein 1ab VIRAL_PROTEIN MEASURED_TARGET_ASSOCIATION

BindingDB quantitative measurement in the named target organism; source assay descriptions and identifiers are retained per measurement. Evidence status: PRIMARY_EVIDENCE. Source: BINDINGDB 2026-09 (retrieved 2026-08-31).

Severe acute respiratory syndrome coronavirus NCBITaxon:2901879

Quantitative measurements

Type	Reported value	Assay	BindingDB IDs	Reference
KI	2400 nM	Various Assay This is a review article. Please point to the original journal.	RSID 1073838 assay 10079_1 monomer 512713	PMID:34798775

Organism-specific examples

Protein	Gene	Organism	Entry
Replicase polyprotein 1ab UniProtKB:P0C6X7	—	Severe acute respiratory syndrome coronavirus	REVIEWED

• PMID:34798775 (BindingDB literature-curated quantitative target measurement; source value, assay text, reaction-set ID, and target organism retained.)

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

4. RESEEDED_FROM_SOURCES 2026-08-31 · 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.