Thimerosal - ≥97% , CAS No.54-64-8

CAS: 54-64-8 Cat. No.: T105278 Formule: C₉H₉HgNaO₂S Poids moléculaire: 404.81 Beilstein Registry Number: 8169555 Numéro CE: 200-210-4 PubChem CID: 16684434

GRADE & PURITY ≥97%

Synonyms

Sodium merthiolate | Thiomersalate | Ethylmercurithiosalicylate sodium | Mercurothiolate | Ethylmercurithiosalicylic acid sodium salt | Thiomersalum | Sodium ethylmercurithiosalicylate | 2-(Ethylmercuriomercapto)benzoic acid sodium salt | Mercury-([o-carb

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

Thimerosal is used as an antibacterial and antifungal. It is used as a topical antiseptic on skin and mucous membranes. It is also used as a preservative in pharmaceuticals as well as research.

Specifications

Synonymes

Sodium merthiolate | Thiomersalate | Ethylmercurithiosalicylate sodium | Mercurothiolate | Ethylmercurithiosalicylic acid sodium salt | Thiomersalum | Sodium ethylmercurithiosalicylate | 2-(Ethylmercuriomercapto)benzoic acid sodium salt | Mercury-([o-carb

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

Thimerosal inhibit a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508815314

Sourires canoniques

CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]

IUPAC Name

sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury

InChIKey

RTKIYNMVFMVABJ-UHFFFAOYSA-L

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

Isomères SMILES

CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]

WGK Allemagne

3

PubChem CID

16684434

Numéro ONU

2025

Groupe d'emballage

I

Poids moléculaire

404.81

Beilstein

8169555

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Sulfanylbenzoic acids and derivatives
          • Level6 O-sulfanylbenzoic acids and derivatives
            • Level7 O-sulfanylbenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives
• Direct Parent: O-sulfanylbenzoic acids
• Alternative Parents: Benzoic acids Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Transition metal alkyls Organosulfur compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Alkyl mercury compounds
• Molecular Framework: Not available
• Substituents: O-sulfanylbenzoic acid - Benzoic acid - Benzoyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organometallic compound - Organomercurial-compound - Organic transition metal moeity - Organic salt - Alkyl mercury compound - Hydrocarbon derivative - Organic oxide - Transition metal alkyl - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
• External Descriptors: alkylmercury compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: Soluble in water or ethanol
• Sensibilité: Light sensitive.
• Point d'éclair (°F): 482 °F
• Point d'éclair (°C): 250 °C
• Point de fusion (°C): 234-237°C
• Poids moléculaire: 404.820 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 405.993 Da
• Monoisotopic Mass: 405.993 Da
• Topological Polar Surface Area: 65.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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