sodium 2-[(ethylmercurio)sulfanyl]benzoate

• ChemBase ID: 129867
• Molecular Formular: C9H9HgNaO2S
• Molecular Mass: 404.81133
• Monoisotopic Mass: 405.99273781
• SMILES: [Na+].[O-]C(=O)c1ccccc1S[Hg]CC
• Canonical SMILES: CC[Hg]Sc1ccccc1C(=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
• InChIKey: RTKIYNMVFMVABJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-[(ethylmercurio)sulfanyl]benzoate
• IUPAC Traditional name: sodium ethylmercurithiosalicylate
• Synonyms: 2-(Ethylmercuriomercapto)benzoic acid sodium salt; Ethylmercurithiosalicylic acid sodium salt; Mercury-([o-carboxyphenyl]thio)ethyl sodium salt; Sodium ethylmercurithiosalicylate; Mercury((o-carboxyphenyl)thio)ethyl sodium salt; Thiomersal; Thimerosal; Mercury-([o-carboxyphenyl]thio)ethyl 钠盐; 乙基噻吩酸 钠盐; 乙汞硫柳酸钠; 乙汞硫水杨酸 钠盐; 硫柳汞

Database IDs

• CAS Number: 54-64-8
• EC Number: 200-210-4
• MDL Number: MFCD00013062
• Beilstein Number: 8169555
• PubChem SID: 24900219; 162224153; 24900561; 24900257
• PubChem CID: 16684434
• CHEBI ID: 9546
• ATC CODE: D08AK06
• CHEMBL: 508338
• Chemspider ID: 10772045
• Unique Ingredient Identifier: 2225PI3MOV
• Wikipedia Title: Thiomersal

CALCULATED PROPERTIES

• Acid pKa: 3.6190267
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.47358036
• LogD (pH = 7.4): -1.0737593
• Log P: 2.3534
• Molar Refractivity: 59.8243 cm^3
• Polarizability: 26.518625 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1000 g/l (20 °C) in water; methanol: ≤ 10 TE CF0.1 g/mL
• Apperance: White or slightly yellow powder
• Melting Point: 232–233 °C (decomposition); 234-237 °C (dec.); 234-237 °C (dec.)(lit.)
• Flash Point: 250 °C; 250 °C; 482 °F
• Density: 2.508 g/cm3

Safety Information

• RTECS: OV8400000
• European Hazard Symbols: Repr. Cat. 1; Dangerous for the environment (N); Nature polluting (N); Highly toxic (T+); Very toxic (T+)
• UN Number: 2025
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 26/27/28-33-50/53; R26/27/28 R33 R40 R50/53 R60 R61
• Safety Statements: 13-28-36-45-60-61; S13 S28 S36 S45 S53 S60 S61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  1

  3

  1
• GHS Hazard statements: H300-H310-H330-H373-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2025 6.1/PG 3

Product Information

• Purity: ≥95.0% (Hg); ≥97% (HPLC); 97%; 97-101%
• Suitability: meets USP testing specifications
• Impurities: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.001%; Ca: ≤0.002%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; NH4+: ≤0.1%; Pb: ≤0.001%; Zn: ≤0.0005%
• Linear Formula: 2-(C2H5HgS)C6H4CO2Na

DETAILS

Sigma Aldrich - T2299

Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.

Sigma Aldrich - T4687

Application
用作抗生素和抗真菌剂。
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.
Protocols & Applications
Antibiotic Selector for application, solubility, solution stability, working concentration, and mode of action information

Sigma Aldrich - T5125

包装
10, 25, 100, 500 g in poly bottle
Application
Thimerosal is used as an antibacterial and antifungal. It is used as a topical antiseptic on skin and mucous membranes1. It is also used as a preservative in pharmaceuticals as well as research.
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.
Protocols & Applications
Antibiotic Selector for application, solubility, solution stability, working concentration, and mode of action information

Sigma Aldrich - T8784

Application
Thimerosal is used as an antibacterial and antifungal. It is used as a topical antiseptic on skin and mucous membranes1. It is also used as a preservative in pharmaceuticals as well as research.
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.

Sigma Aldrich - E35257

Packaging
25 g in glass bottle
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.

Sigma Aldrich - 71230

Application
Thiomersal is an organomercury compound that is used as an antiseptic and antifungal agent It is used as a vaccine preservative. During cell culture, thiomersal is used to prevent overgrowth in fibroblast cells 1. It has been used to preserve Atovaquone 2.
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.