Thimerosal - ≥97% , CAS No.54-64-8

CAS: 54-64-8 Cat. No.: T105278 Fórmula: C₉H₉HgNaO₂S Peso molecular: 404.81 Beilstein Registry Number: 8169555 Número 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

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.

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

FedEx DG Service

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508815314

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

PubChem CID

16684434

Número UN

2025

Grupo de embalagem

I

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water or ethanol
• Sensibilidade: Light sensitive.
• Ponto de inflamação (°F): 482 °F
• Ponto de inflamação (°C): 250 °C
• Ponto de fusão (°C): 234-237°C
• Peso molecular: 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

XLogP3