Chlormethiazole Hydrochloride - ≥98%(HPLC) , CAS No.6001-74-7

CAS: 6001-74-7 Cat. No.: C153490 Formula: C₆H₈ClNS·HCl Peso molecolare: 198.11 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

Sedative and anticonvulsant which is neuroprotective in a number of animal models. Prevents the degeneration of serotonergic nerve terminals induced by MDMA ('Ecstasy').

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 504768810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768810
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=C(SC=N1)CCCl.Cl
• WGK Germania: 3
• PubChem CID: 19035073
• Peso molecolare: 198.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solvent:water, Max Conc. mg/mL: 19.81, Max Conc. mM: 100
• Sensibilità: Hygroscopic
• Punto di fusione (°C): 136 °C
• Peso molecolare: 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

Domande frequenti

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.