2-bromothiazol-4-amine hydrobromide - ≥98% , CAS No.41731-35-5

CAS: 41731-35-5 Cat. No.: B729780 Fórmula: C3H4Br2N2S

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1=C(N=C(S1)Br)N.Br

IUPAC Name

2-bromo-1,3-thiazol-4-amine;hydrobromide

InChIKey

MRDKFGRRIBRLBH-UHFFFAOYSA-N

INCHI

1S/C3H3BrN2S.BrH/c4-3-6-2(5)1-7-3;/h1H,5H2;1H

SMILES isoméricas

C1=C(N=C(S1)Br)N.Br

CAS alternativo

41731-33-3

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: 2,4-disubstituted thiazoles
• Alternative Parents: Imidolactams Aryl bromides Aminothiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - 1,3-thiazolamine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrobromide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

Propriedades químicas e físicas

• Peso molecular: 259.950 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 259.844 Da
• Monoisotopic Mass: 257.846 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.000
• 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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