Cas no 174672-60-7 (5-ethynylthiophene-2-carbonitrile)

5-ethynylthiophene-2-carbonitrile structure
174672-60-7 structure
Product Name:5-ethynylthiophene-2-carbonitrile
CAS No:174672-60-7
MF:C7H3NS
MW:133.170419931412
CID:906178
PubChem ID:45079210
Update Time:2025-09-27

5-ethynylthiophene-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarbonitrile, 5-ethynyl- (9CI)
    • 5-ethynylthiophene-2-carbonitrile
    • 2-Thiophenecarbonitrile, 5-ethynyl-
    • 174672-60-7
    • SCHEMBL23704234
    • DB-282670
    • EN300-1829837
    • Inchi: 1S/C7H3NS/c1-2-6-3-4-7(5-8)9-6/h1,3-4H
    • InChI Key: DNPWNXMZXPEZGI-UHFFFAOYSA-N
    • SMILES: S1C(C#N)=CC=C1C#C

Computed Properties

  • Exact Mass: 132.99869
  • Monoisotopic Mass: 132.99862027g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 192
  • 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: 1.9
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • PSA: 23.79

5-ethynylthiophene-2-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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