Thimerosal - PharmPure™,BP,Ph.Eur. , CAS No.54-64-8

CAS: 54-64-8 Cat. No.: T485571 Fórmula: C₉H₉HgNaO₂S Peso molecular: 404.81 Beilstein Registry Number: 8169555 Número EC: 200-210-4 PubChem CID: 16684434

GRADE & PURITY PharmPure™, BP, Ph.Eur.

Synonyms

Mercury-([o-carboxyphenyl]thio)ethyl sodium salt | Sodium ethylmercurithiosalicylate

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Mercury-([o-carboxyphenyl]thio)ethyl sodium salt | Sodium ethylmercurithiosalicylate

Especificaciones y pureza

PharmPure™,BP,Ph.Eur.

Información jurídica

免责声明: The product is not intended for use as a biocide under global biocide regulations. For antimicrobial applications under other legislations please check respective (local) laws.

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

FedEx DG Service

Grado

BP, Ph.Eur., PharmPure™

Nombres e identificadores

Pubchem Sid

528774057

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

3

PubChem CID

16684434

Número ONU

2025

Grupo de embalaje

I

Peso molecular

404.81

Beilstein

8169555

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase 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
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: 1000g/L
• Sensibilidad: light & moisture sensitive
• Punto de inflamación (°F): 482 °F
• Punto de inflamación (°C): 250 °C
• Punto de fusión (°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

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