Cas no 56639-88-4 (5-methyl-2,3-dihydro-1-benzothiophen-3-one)

5-methyl-2,3-dihydro-1-benzothiophen-3-one structure
56639-88-4 structure
Product Name:5-methyl-2,3-dihydro-1-benzothiophen-3-one
CAS No:56639-88-4
MF:C9H8OS
MW:164.224221229553
MDL:MFCD22068611
CID:348255
PubChem ID:12623895
Update Time:2025-08-03

5-methyl-2,3-dihydro-1-benzothiophen-3-one Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophen-3(2H)-one, 5-methyl-
    • 5-methyl-1-benzothiophen-3-one
    • 5-methyl-2,3-dihydro-1-benzothiophen-3-one
    • 5-Methyl-1-benzothiophen-3(2H)-one
    • AKOS022713898
    • 56639-88-4
    • 2,3-DIHYDRO-3-KETO-5-METHYLBENZOTHIOPHENE
    • EN300-265682
    • F1905-6537
    • 5-methylbenzo[b]thiophen-3(2H)-one
    • DTXSID20504757
    • SCHEMBL10054228
    • MDL: MFCD22068611
    • Inchi: 1S/C9H8OS/c1-6-2-3-9-7(4-6)8(10)5-11-9/h2-4H,5H2,1H3
    • InChI Key: FDUUXIYDLKFEPF-UHFFFAOYSA-N
    • SMILES: S1CC(C2C=C(C)C=CC1=2)=O

Computed Properties

  • Exact Mass: 164.02964
  • Monoisotopic Mass: 164.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 178
  • 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: 2.4
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 17.07

5-methyl-2,3-dihydro-1-benzothiophen-3-one Pricemore >>

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