Cas no 169328-87-4 (Thiophene, 2-bromo-3,4-dimethyl-)

Thiophene, 2-bromo-3,4-dimethyl-, is a brominated thiophene derivative characterized by its distinct molecular structure featuring methyl groups at the 3- and 4-positions and a bromine atom at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. Its bromine substituent enhances reactivity in cross-coupling reactions, such as Suzuki or Stille couplings, enabling efficient construction of complex heterocyclic systems. The methyl groups contribute to steric and electronic modulation, influencing regioselectivity in further derivatization. The compound is typically handled under inert conditions due to its sensitivity to moisture and air. Suitable for research and industrial applications requiring precise functionalization of thiophene scaffolds.
Thiophene, 2-bromo-3,4-dimethyl- structure
169328-87-4 structure
Product Name:Thiophene, 2-bromo-3,4-dimethyl-
CAS No:169328-87-4
MF:C6H7BrS
MW:191.088779687881
MDL:MFCD26516706
CID:1356269
PubChem ID:59169075
Update Time:2025-10-16

Thiophene, 2-bromo-3,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 2-bromo-3,4-dimethyl-
    • 2-bromo-3,4-dimethylthiophene
    • 169328-87-4
    • AT33035
    • SCHEMBL3559932
    • DTXSID40731189
    • MDL: MFCD26516706
    • Inchi: 1S/C6H7BrS/c1-4-3-8-6(7)5(4)2/h3H,1-2H3
    • InChI Key: GRXMHBKEDYKMND-UHFFFAOYSA-N
    • SMILES: BrC1=C(C)C(C)=CS1

Computed Properties

  • Exact Mass: 189.94521
  • Monoisotopic Mass: 189.94518g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 84.6
  • 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: 3.4
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 0

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