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

CAS: 83933-17-9 Cat. No.: B186842 Fórmula: C₅H₄BrNOS Peso molecular: 206.1 Número EC: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767244
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767244
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=C(SC=C1Br)C(=O)N
• Peso molecular: 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
    • Clase Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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