Basic information
- CAS
148-61-8- Standard SMILES
C[CH2][Hg][S]c1ccccc1C(=O)O- InChIKey
HXQVQGWHFRNKMS-UHFFFAOYSA-M- Molecular formula
- C9H10HgO2S
- Average molar mass
- 382.83 g/mol
- Monoisotopic mass
- 384.010794
Overview
Ethylmercurithiosalicylic acid is an alkylmercury compound. It is a conjugate acid of an ethylmercurithiosalicylate.
Names & identifiers
- Preferred name
- Ethylmercury thiosalicylate
- IUPAC
- (2-carboxyphenyl)sulfanyl-ethylmercury
- English name
- 2-(ethylmercuriothio)benzoic acid
- Molecular formula
- C9H10HgO2S
- Molecular weight
- 382.8295
Names & synonyms
RefChem:596791ethylmercury thiosalicylateethylmercurithiosalicylic acid2-(Ethylmercuriothio)benzoic acid148-61-8ThimerosalaMerseptylElcide2-(ETHYLMERCURI-THIO)-BENZOIC ACID(2-carboxyphenyl)sulfanyl-ethylmercury[(o-carboxyphenyl)thio]ethylmercury((o-Carboxyphenyl)thio)ethylmercury
Show more names
4071N4J64WThimerosal parentUNII-4071N4J64WEINECS 205-719-5Spectrum_001062Spectrum2_000552Spectrum3_000572Spectrum4_000355
Database identifiers
- CAS
148-61-8、736071-66-2- PubChem CID
- 67361
- DTXSID
DTXSID3045019- ChEBI
CHEBI:33214- UNII
- 4071N4J64W
- EC Number
- 205-719-5
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
Collision Cross Section146.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3025540]
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- FDA UNII
- 4071 N4J64W · 4071N4J64W
- EPA Substance Registry System
- Mercurate(1-), ethyl[2-(mercapto-.kappa.S)benzoato(2-)-.kappa.O]-, hydrogen (148-61-8)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Additional notes
DefinitionChEBI: Ethylmercurithiosalicylic acid is an alkylmercury compound. It is a conjugate acid of an ethylmercurithiosalicylate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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