Cas no 146137-98-6 (Methyl 4-methylbenzo[b]thiophene-2-carboxylate)

Methyl 4-methylbenzo[b]thiophene-2-carboxylate structure
146137-98-6 structure
Product Name:Methyl 4-methylbenzo[b]thiophene-2-carboxylate
CAS No:146137-98-6
MF:C11H10O2S
MW:206.260901927948
CID:1038435
PubChem ID:19007405
Update Time:2025-04-20

Methyl 4-methylbenzo[b]thiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-methylbenzo[b]thiophene-2-carboxylate
    • Methyl 4-methyl-1-benzothiophene-2-carboxylate
    • AK100709
    • ANW-69997
    • CTK8C3359
    • KB-257200
    • SureCN806489
    • Methyl4-methylbenzo[b]thiophene-2-carboxylate
    • 146137-98-6
    • A884550
    • SCHEMBL806489
    • DTXSID00597324
    • Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, methyl ester
    • MXRCGMSSEDWQKY-UHFFFAOYSA-N
    • MDL： MFCD13180912
    • Inchi： 1S/C11H10O2S/c1-7-4-3-5-9-8(7)6-10(14-9)11(12)13-2/h3-6H,1-2H3
    • InChI Key： MXRCGMSSEDWQKY-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OC)=CC2C(C)=CC=CC1=2

Computed Properties

  • Exact Mass: 206.0402
  • Monoisotopic Mass: 206.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 3.5
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • PSA: 26.3

Methyl 4-methylbenzo[b]thiophene-2-carboxylate Pricemore >>

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