Cas no 57248-38-1 (Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl-)

Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl- structure
57248-38-1 structure
Product Name:Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl-
CAS No:57248-38-1
MF:C13H14OS2
MW:250.379661083221
CID:345999
PubChem ID:71444246
Update Time:2025-04-19

Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl-
    • (4-ethyl-2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanone
    • (4-Ethyl-2,5-dimethylthiophen-3-yl)(thiophen-2-yl)methanone
    • DTXSID80853036
    • 57248-38-1
    • Inchi: 1S/C13H14OS2/c1-4-10-8(2)16-9(3)12(10)13(14)11-6-5-7-15-11/h5-7H,4H2,1-3H3
    • InChI Key: FRSRAMVDHPDBPS-UHFFFAOYSA-N
    • SMILES: S1C(C)=C(C(C2=CC=CS2)=O)C(=C1C)CC

Computed Properties

  • Exact Mass: 250.04872
  • Monoisotopic Mass: 250.04860741g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 267
  • 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: 4.6
  • Topological Polar Surface Area: 73.6?2

Experimental Properties

  • PSA: 17.07
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