4-Bromothiophène-2-carboxamide - ≥98% , CAS No.83933-17-9

CAS: 83933-17-9 Cat. No.: B186842 Formule: C₅H₄BrNOS Poids moléculaire: 206.1 Numéro CE: 107-030-4

GRADE & PURITY ≥98%

Synonyms

FT-0683454 | 2-THIOPHENECARBOXAMIDE, 4-BROMO- | DS-17070 | 4-Bromo-2-thiophenecarboxamide, AldrichCPR | 2-Aminocarbonyl-4-bromothiophene | 4-bromothiophene-2-carboxamide | AKOS000298836 | DTXSID60511086 | A864196 | MFCD09859843 | 4-Bromo-2-thiophenecarbox

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

FT-0683454 | 2-THIOPHENECARBOXAMIDE, 4-BROMO- | DS-17070 | 4-Bromo-2-thiophenecarboxamide, AldrichCPR | 2-Aminocarbonyl-4-bromothiophene | 4-bromothiophene-2-carboxamide | AKOS000298836 | DTXSID60511086 | A864196 | MFCD09859843 | 4-Bromo-2-thiophenecarbox

Spécifications et pureté

≥98%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504767244
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767244
• Sourires canoniques: C1=C(SC=C1Br)C(=O)N
• IUPAC Name: 4-bromothiophene-2-carboxamide
• InChIKey: WPIFYCRDSOUHLT-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
• Isomères SMILES: C1=C(SC=C1Br)C(=O)N
• Poids moléculaire: 206.1
• Reaxy-Rn: 1365259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1365259&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: 2-heteroaryl carboxamides Aryl bromides Heteroaromatic compounds Primary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Thiophene carboxamide - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 206.060 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.92 Da
• Monoisotopic Mass: 204.92 Da
• Topological Polar Surface Area: 71.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 130.000
• 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