Chlormethiazol-Hydrochlorid - ≥98%(HPLC) , CAS No.6001-74-7

CAS: 6001-74-7 Cat. No.: C153490 Summenformel: C₆H₈ClNS·HCl Molekulargewicht: 198.11 EG-Nummer: 611-928-6 PubChem CID: 19035073

GRADE & PURITY ≥98%(HPLC)

Synonyms

6-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-N-((5-(methylsulfonyl)pyridin-2-yl)methyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide | 5-(2-chloroethyl)-4-methyl-thiazole hydrochloride;Clomethiazole | 5-(2-chloroethyl)-4-methyl-1,3-thiaz

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

6-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-N-((5-(methylsulfonyl)pyridin-2-yl)methyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide | 5-(2-chloroethyl)-4-methyl-thiazole hydrochloride;Clomethiazole | 5-(2-chloroethyl)-4-methyl-1,3-thiaz

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Sedativum und Antikonvulsivum, das in einer Reihe von Tiermodellen neuroprotektiv wirkt. Verhindert die durch MDMA ("Ecstasy") ausgelöste Degeneration der serotonergen Nervenendigungen.

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504768810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768810
• Kanonisches Lächeln: CC1=C(SC=N1)CCCl.Cl
• IUPAC Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
• InChIKey: OFXYKSLKNMTBHK-UHFFFAOYSA-N
• INCHI: 1S/C6H8ClNS.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H
• Isomere SMILES: CC1=C(SC=N1)CCCl.Cl
• WGK Deutschland: 3
• PubChem CID: 19035073
• Molekulargewicht: 198.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 4,5-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 4 and 5 only.
• External Descriptors: Not available

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 19.81, Max Conc. mM: 100
• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 136 °C
• Molekulargewicht: 198.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.983 Da
• Monoisotopic Mass: 196.983 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.100
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6001-74-7, the molecular formula is C6H8ClNS·HCl, and the molecular weight is 198.11 g/mol. InChIKey OFXYKSLKNMTBHK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.