2-Bromothiazole-5-carboxamide - ≥97% , CAS No.848499-31-0

CAS: 848499-31-0 Cat. No.: B195282 Fórmula: C₄H₃BrN₂OS Peso molecular: 207.05 Número CE: 872-286-2

GRAU & PUREZA ≥97%

Synonyms

2-bromothiazole-5-carboxamide|848499-31-0|2-Bromo-1,3-thiazole-5-carboxamide|2-BROMO-THIAZOLE-5-CARBOXAMIDE|2-bromo-thiazol-5-carboxamide|SCHEMBL1238343|AMY4699|DTXSID00605514|RXTGRIUBDYHCKY-UHFFFAOYSA-N|MFCD09998942|AKOS015919524|MB08396|s10763|DS-14707|

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

2-bromothiazole-5-carboxamide | 848499-31-0 | 2-Bromo-1,3-thiazole-5-carboxamide | 2-BROMO-THIAZOLE-5-CARBOXAMIDE | 2-bromo-thiazol-5-carboxamide | SCHEMBL1238343 | AMY4699 | DTXSID00605514 | RXTGRIUBDYHCKY-UHFFFAOYSA-N | MFCD09998942 | AKOS015919524 | MB08396 | s10763 | DS-14707 |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=C(SC(=N1)Br)C(=O)N

IUPAC Name

2-bromo-1,3-thiazole-5-carboxamide

InChIKey

RXTGRIUBDYHCKY-UHFFFAOYSA-N

INCHI

1S/C4H3BrN2OS/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)

SMILES isoméricas

C1=C(SC(=N1)Br)C(=O)N

Peso molecular

207.05

Reaxy-Rn

18333447

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18333447&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles
        • Level5 Thiazolecarboxylic acids and derivatives
          • Level6 Thiazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Thiazolecarboxylic acids and derivatives
• Direct Parent: Thiazolecarboxamides
• Alternative Parents: 2-heteroaryl carboxamides 2,5-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Thiazolecarboxamide - 2,5-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.
• 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: 207.050 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.915 Da
• Monoisotopic Mass: 205.915 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 132.000
• 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: 1