Cas no 127798-29-2 (Thiophene,3-ethynyl-2,5-dimethyl-)

Thiophene, 3-ethynyl-2,5-dimethyl- is a versatile heterocyclic compound known for its unique structural features. It exhibits excellent solubility in organic solvents, facilitating synthesis and analysis. The presence of the 3-ethynyl and 2,5-dimethyl groups provides functionality for various organic transformations, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials science applications. Its stability and reactivity make it a preferred choice for research and development.
Thiophene,3-ethynyl-2,5-dimethyl- structure
127798-29-2 structure
Product Name:Thiophene,3-ethynyl-2,5-dimethyl-
CAS No:127798-29-2
MF:C8H8S
MW:136.214120864868
MDL:MFCD26853885
CID:103090
PubChem ID:45079255
Update Time:2025-10-16

Thiophene,3-ethynyl-2,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Thiophene,3-ethynyl-2,5-dimethyl-
    • 3-Ethynyl-2,5-dimethylthiophene
    • Thiophene, 3-ethynyl-2,5-dimethyl- (9CI)
    • E84571
    • 127798-29-2
    • BS-45610
    • EN300-787594
    • MFCD26853885
    • SCHEMBL17340884
    • A1-15183
    • 3-ethynyl-2,5-dimethyl-thiophene
    • MDL： MFCD26853885
    • Inchi： 1S/C8H8S/c1-4-8-5-6(2)9-7(8)3/h1,5H,2-3H3
    • InChI Key： ZKVKXKISMSFNNO-UHFFFAOYSA-N
    • SMILES： S1C(C)=CC(C#C)=C1C

Computed Properties

  • Exact Mass: 136.03474
  • Monoisotopic Mass: 136.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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
  • Topological Polar Surface Area: 28.2A^2
  • XLogP3: 2.6

Experimental Properties

  • PSA: 0

Thiophene,3-ethynyl-2,5-dimethyl- Pricemore >>

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