Cas no 19404-24-1 (3-methyl-1-benzothiophene-5-carboxylic acid)

3-methyl-1-benzothiophene-5-carboxylic acid structure
19404-24-1 structure
Product Name:3-methyl-1-benzothiophene-5-carboxylic acid
CAS No:19404-24-1
MF:C10H8O2S
MW:192.234321594238
MDL:MFCD01830526
CID:2192496
PubChem ID:821992
Update Time:2025-04-21

3-methyl-1-benzothiophene-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-5-carboxylic acid, 3-methyl-
    • 3-Methyl-1-benzothiophene-5-carboxylic acid
    • SCHEMBL17842775
    • AA-516/33242017
    • 888-833-3
    • 3-methylbenzothiophene-5-carboxylic
    • EN300-8091539
    • AKOS006279895
    • 19404-24-1
    • 3-methylbenzo[b]thiophene-5-carboxylic acid
    • Z1198158713
    • DB-342402
    • 3-methyl-1-benzothiophene-5-carboxylic acid
    • MDL: MFCD01830526
    • Inchi: 1S/C10H8O2S/c1-6-5-13-9-3-2-7(10(11)12)4-8(6)9/h2-5H,1H3,(H,11,12)
    • InChI Key: XGOWVNJGEXECLA-UHFFFAOYSA-N
    • SMILES: S1C=C(C)C2C=C(C(=O)O)C=CC1=2

Computed Properties

  • Exact Mass: 192.02450067Da
  • Monoisotopic Mass: 192.02450067Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 217
  • 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: 2.8
  • Topological Polar Surface Area: 65.5?2

3-methyl-1-benzothiophene-5-carboxylic acid Pricemore >>

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