Cas no 173723-32-5 (3-ethyl-2-ethynylthiophene)

3-Ethyl-2-ethynylthiophene is a specialized heterocyclic compound featuring a thiophene core substituted with an ethyl group at the 3-position and an ethynyl group at the 2-position. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly in cross-coupling reactions and as a building block for conjugated polymers or small-molecule semiconductors. The ethynyl group enables further functionalization via Sonogashira or click chemistry, while the ethyl substituent enhances solubility in organic solvents. Its electron-rich thiophene backbone contributes to applications in materials science, including organic electronics and optoelectronic devices. The compound's balanced stability and reactivity make it a useful intermediate in fine chemical and pharmaceutical research.
3-ethyl-2-ethynylthiophene structure
3-ethyl-2-ethynylthiophene structure
Product Name:3-ethyl-2-ethynylthiophene
CAS No:173723-32-5
MF:C8H8S
MW:136.214120864868
CID:877114
PubChem ID:15248083
Update Time:2025-06-08

3-ethyl-2-ethynylthiophene Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 3-ethyl-2-ethynyl- (9CI)
    • 3-ethyl-2-ethynylthiophene
    • Inchi: 1S/C8H8S/c1-3-7-5-6-9-8(7)4-2/h2,5-6H,3H2,1H3
    • InChI Key: DLZOWIZGSLIQFD-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1C#C)CC

Computed Properties

  • Exact Mass: 136.03474
  • Monoisotopic Mass: 136.03467143g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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: 2.7
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 0

3-ethyl-2-ethynylthiophene Pricemore >>

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