5-Chloromethylthiazole - ≥95% , CAS No.45438-77-5

CAS: 45438-77-5 Cat. No.: C1369575 Molecular Weight: 133.60

GRADE & PURITY ≥95%

Synonyms

5-(Chloromethyl)-1,3-thiazole | 5-(chloromethyl)-1,3-thiazole hydrochloride | 5-thiazolylmethyl chloride | Thiazole, 5-(chloromethyl)- | 5-Chloromethylthiazole

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

5-(Chloromethyl)-1, 3-thiazole | 5-(chloromethyl)-1, 3-thiazole hydrochloride | 5-thiazolylmethyl chloride | Thiazole, 5-(chloromethyl)- | 5-Chloromethylthiazole

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• IUPAC Name: 5-(chloromethyl)-1,3-thiazole
• InChIKey: UZAOOCPKYMGRHG-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClNS/c5-1-4-2-6-3-7-4/h2-3H,1H2
• Isomeric SMILES: C1=C(SC=N1)CCl
• Alternate CAS: 45438-77-5
• Molecular Weight: 133.60

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
• 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

Chemical and Physical Properties

• Molecular Weight: 133.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 132.975 Da
• Monoisotopic Mass: 132.975 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.700
• 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: 1