Cas no 98136-28-8 (4,5-Dibromothiophene-3-carboxamide)

4,5-Dibromothiophene-3-carboxamide is a brominated thiophene derivative with a carboxamide functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its dibromo substitution pattern enhances reactivity, facilitating further functionalization for the development of heterocyclic compounds. The carboxamide moiety provides versatility in coupling reactions and serves as a precursor for amide bond formation. This compound is particularly useful in the synthesis of thiophene-based scaffolds, which are relevant in medicinal chemistry for their potential biological activity. Its high purity and well-defined structure ensure consistent performance in research applications, including material science and drug discovery.
4,5-Dibromothiophene-3-carboxamide structure
98136-28-8 structure
Product Name:4,5-Dibromothiophene-3-carboxamide
CAS No:98136-28-8
MF:C5H3Br2NOS
MW:284.956418275833
CID:5739356
PubChem ID:72183259
Update Time:2025-05-28

4,5-Dibromothiophene-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 3-Thiophenecarboxamide, 4,5-dibromo-
    • 98136-28-8
    • 4,5-Dibromothiophene-3-carboxamide
    • Inchi: 1S/C5H3Br2NOS/c6-3-2(5(8)9)1-10-4(3)7/h1H,(H2,8,9)
    • InChI Key: UAXAXHWWERKUQL-UHFFFAOYSA-N
    • SMILES: C1SC(Br)=C(Br)C=1C(N)=O

Computed Properties

  • Exact Mass: 284.82816g/mol
  • Monoisotopic Mass: 282.83021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 71.3?2

Experimental Properties

  • Density: 2.192±0.06 g/cm3(Predicted)
  • Boiling Point: 315.4±42.0 °C(Predicted)
  • pka: 14.55±0.50(Predicted)

4,5-Dibromothiophene-3-carboxamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Crysdot LLC
CD11001405-1g
4,5-Dibromothiophene-3-carboxamide
98136-28-8 95+%
1g
$545 2024-07-19
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