4-(Bromomethyl)thiazole hydrobromide - ≥97% , CAS No.98027-25-9

CAS: 98027-25-9 Cat. No.: B196134 Molecular Weight: 258.96 EC Number: 824-631-3 PubChem CID: 84819416

GRADE & PURITY ≥97%

Synonyms

4-(Bromomethyl)thiazole hydrobromide|98027-25-9|4-(bromomethyl)-1,3-thiazole;hydrobromide|4-(BROMOMETHYL)-1,3-THIAZOLE HYDROBROMIDE|4-(BROMOMETHYL)THIAZOLE HBR|4-(Bromomethyl)thiazolehydrobromide|4-bromomethyl-thiazole hydrobromide|MFCD28101760|AKOS024259

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(Bromomethyl)thiazole hydrobromide | 98027-25-9 | 4-(bromomethyl)-1, 3-thiazole;hydrobromide | 4-(BROMOMETHYL)-1, 3-THIAZOLE HYDROBROMIDE | 4-(BROMOMETHYL)THIAZOLE HBR | 4-(Bromomethyl)thiazolehydrobromide | 4-bromomethyl-thiazole hydrobromide | MFCD28101760 | AKOS024259

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(N=CS1)CBr.Br
• IUPAC Name: 4-(bromomethyl)-1,3-thiazole;hydrobromide
• InChIKey: SGRVAKKAQAGLOX-UHFFFAOYSA-N
• INCHI: 1S/C4H4BrNS.BrH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
• Isomeric SMILES: C1=C(N=CS1)CBr.Br
• PubChem CID: 84819416
• Molecular Weight: 258.96

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 Imidothioesters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Imidothioester - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Imidothioic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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: 258.959 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 258.849 Da
• Monoisotopic Mass: 256.851 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 8
• 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: 2

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