Substance Name: Thimerosal [USP:JAN]
RN: 54-64-8
InChIKey: RTKIYNMVFMVABJ-UHFFFAOYSA-L

Note

  • An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.

Molecular Formula

  • C9-H9-Hg-O2-S.Na

Molecular Weight

  • 404.8141
2D chemical structure of 54-64-8
 

Classification Codes

  • Agricultural Chemical
  • Anti-infective, topical
  • Drug / Therapeutic Agent
  • Fungicide, bactericide, wood preservative
  • Germicide, bactericide, disinfectant
  • Human Data
  • Mutation data
  • Organometallic
  • Pharmaceutic aid [preservative]
  • Pharmaceutic Aids
  • Preservatives, pharmaceutical
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor data

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ethyl(2-mercaptobenzoato-S)mercury, sodium salt
  • Sodium ethylmercurithiosalicylate
  • Thimerosal
  • Thimerosal [USP:JAN]

MeSH Heading

  • Thimerosal

Synonyms

  • ((o-Carboxyphenyl)thio)ethylmercury sodium salt
  • Aeroaid spray
  • Caswell No. 766
  • CCRIS 4839
  • EINECS 200-210-4
  • Elcide 73
  • Elcide 75
  • Elicide
  • EPA Pesticide Chemical Code 078901
  • Estivin
  • Ethyl (sodium o-mercaptobenzoato)mercury
  • Ethyl(2-mercaptobenzoato-S)mercury sodium salt
  • Ethylmercurithiosalicyclic acid, sodium salt
  • Ethylmercurithiosalicylate sodium
  • Ethylmercurithiosalicylate sodium salt
  • Ethylmercurithiosalicylic acid sodium salt
  • Ethylmerkurithiosalicilan sodny
  • Ethylmerkurithiosalicilan sodny [Czech]
  • HSDB 7151
  • Mercurate(1-), ethyl(2-mercaptobenzoate(2-)-O,S)-, sodium salt
  • Mercurate(1-), ethyl(o-mercaptobenzoato(2-))-, sodium
  • Mercurothiolate
  • Mercurothiolatum
  • Mercury, ((o-carboxyphenyl)thio)ethyl-, sodium salt
  • Mercury, ethyl(2-mercaptobenzoate-S)-, sodium salt
  • Mercury, ethyl(2-mercaptobenzoato-S)-, sodium salt
  • Merfamin
  • Merphol
  • Merseptyl (VAN)
  • Merthiolate
  • Merthiolate salt
  • Merthiolate sodium
  • Mertorgan
  • Merzonin
  • Merzonin sodium
  • Nosemack
  • NSC 4794
  • o-(Ethylmercurithio)benzoic acid sodium salt
  • SET
  • Sodium 2-(ethylmercurithio)benzoate
  • Sodium ethylmercuric thiosalicylate
  • Sodium ethylmercurithiosalicylate
  • Sodium merthiolate
  • Sodium o-(ethylmercurithio)benzoate
  • Thimerosal
  • Thimerosalate
  • Thimerosalum
  • Thimerosol
  • Thimersalate
  • Thiomersal
  • Thiomersalat
  • Thiomersalate
  • Thiomersalum
  • Thiomersalum [INN-Latin]
  • Tiomersal
  • Tiomersal [INN-Spanish]
  • Tiomersale
  • Tiomersale [DCIT]
  • UNII-2225PI3MOV
  • Vitaseptol
  • Vitaseptol Loesung

Systematic Names

  • Mercurate(1-), ethyl(2-(mercapto-kappaS)benzoato(2-)-kappaO)-, sodium
  • Mercurate(1-), ethyl(2-(mercapto-kappaS)benzoato(2-)-kappaO)-, sodium (1:1)
  • Mercurate(1-), ethyl(2-mercaptobenzoato(2-)-O,S)-, sodium
  • Mercury, ((o-carboxyphenyl)thio)ethyl-, sodium salt
  • Mercury, ethyl (2-mercaptobenzoato-S)-, sodium salt
  • Mercury, ethyl(hydrogen o-mercaptobenzoato)-, sodium salt (8CI)
  • Thimerosal
  • Thiomersal

Superlist Name

  • Sodium o-(ethylmercurithio)benzoate

Mixture Name

  • Collyrium Eye Wash

Registry Numbers

CAS Registry Number

  • 54-64-8

Other Registry Numbers

  • 11004-81-2
  • 113170-85-7
  • 130995-49-2
  • 2141-27-7
  • 23065-35-2
  • 25948-50-9
  • 362653-08-5
  • 77536-61-9
  • 8030-32-8
  • 8030-33-9
  • 878791-13-0

System Generated Number

  • 0000054648

Molecular Formulas

Molecular Formula

  • C9-H9-Hg-O2-S.Na

Molecular Formula Fragments

  • C9-H9-Hg-O2-S
  • COMPONENT
  • Na

Structure Descriptors

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

c1(c(cccc1)C(=O)[O-])S[Hg]CC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child LDLo intraaural 60mg/kg/4W-I (60mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: ATAXIA
Journal of Pediatrics. Vol. 104, Pg. 311, 1984.
Link to PubMed
man TDLo oral 28571ug/kg/10 (28.571mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

BEHAVIORAL: ANOREXIA (HUMAN

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Rinsho Shinkeigaku. Clinical Neurology. Vol. 6, Pg. 697, 1966.
man TDLo oral 83mg/kg (83mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 453, 1996.
Link to PubMed
mouse LD50 intraperitoneal 54mg/kg (54mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 235, 1962.
mouse LD50 intravenous 45mg/kg (45mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.
mouse LD50 oral 91mg/kg (91mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 58, Pg. 235, 1962.
mouse LD50 subcutaneous 66mg/kg (66mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.
rat LD50 oral 75mg/kg (75mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1130, 1966.
rat LD50 subcutaneous 98mg/kg (98mg/kg)   Clinical Toxicology. Vol. 4, Pg. 185, 1971.
rat LD50 unreported 40mg/kg (40mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 290, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.880 (none)   EST
Water Solubility 5.00E+05 mg/L   EXP
Atmospheric OH Rate Constant 6.77E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.