Cas no 4927-10-0 (1,1'-(thiophene-2,5-diyl)bisethan-1-one)

1,1'-(thiophene-2,5-diyl)bisethan-1-one structure
4927-10-0 structure
Product Name:1,1'-(thiophene-2,5-diyl)bisethan-1-one
CAS No:4927-10-0
MF:C8H8O2S
MW:168.212921142578
CID:932304
PubChem ID:78638
Update Time:2025-04-19

1,1'-(thiophene-2,5-diyl)bisethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1,1'-(thiophene-2,5-diyl)bisethan-1-one
    • 2,5-Diacetylthiophene
    • 1-(5-acetyl-2-thienyl)ethanone
    • 1-(5-acetylthiophen-2-yl)ethanone
    • 1-(5-ethanoylthiophen-2-yl)ethanone
    • 1,1'-thiene-2,5-diyldiethanone
    • 1,1'-thiophene-2,5-diyl-bis-ethanone
    • 2,5-Diacetyl-thiophen
    • 4927-10-0
    • 1,1'-(Thiophene-2,5-diyl)bis(ethan-1-one)
    • NS00031876
    • SR-01000511030-1
    • EINECS 225-556-3
    • 1-(5-ACETYL-THIOPHEN-2-YL)-ETHANONE
    • SR-01000511030
    • ATLWDAOOUUVIKP-UHFFFAOYSA-N
    • SCHEMBL2872059
    • AKOS022505063
    • 1-(5-acetylthiophen-2-yl)ethan-1-one
    • DTXSID00197747
    • Inchi: 1S/C8H8O2S/c1-5(9)7-3-4-8(11-7)6(2)10/h3-4H,1-2H3
    • InChI Key: ATLWDAOOUUVIKP-UHFFFAOYSA-N
    • SMILES: S1C(C(C)=O)=CC=C1C(C)=O

Computed Properties

  • Exact Mass: 168.02500
  • Monoisotopic Mass: 168.02450067g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 1.6
  • Topological Polar Surface Area: 62.4?2

Experimental Properties

  • Density: 1.184
  • Melting Point: 171-173 oC
  • PSA: 62.38000
  • LogP: 2.15330
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