Cas no 959632-57-6 (Ethyl benzo[b]thiophene-7-carboxylate)

Ethyl benzo[b]thiophene-7-carboxylate structure
959632-57-6 structure
Product Name:Ethyl benzo[b]thiophene-7-carboxylate
CAS No:959632-57-6
MF:C11H10O2S
MW:206.260901927948
CID:1023709
PubChem ID:49758023
Update Time:2025-04-20

Ethyl benzo[b]thiophene-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl benzo[b]thiophene-7-carboxylate
    • ethyl 1-benzothiophene-7-carboxylate
    • 3-ethylbenzo[b]thiophene-7-carboxylate
    • benzo[b]thiophene-7-carboxylic acid ethyl ester
    • ethylbenzo[b]thiophene-7-carboxylate
    • SCHEMBL1476081
    • AKOS015856660
    • AB66076
    • MFCD12756033
    • DTXSID80677835
    • KVTZSCYPOQMXTO-UHFFFAOYSA-N
    • FT-0682581
    • 959632-57-6
    • DB-080383
    • MDL： MFCD12756033
    • Inchi： 1S/C11H10O2S/c1-2-13-11(12)9-5-3-4-8-6-7-14-10(8)9/h3-7H,2H2,1H3
    • InChI Key： KVTZSCYPOQMXTO-UHFFFAOYSA-N
    • SMILES： S1C=CC2C=CC=C(C(=O)OCC)C1=2

Computed Properties

  • Exact Mass: 206.04000
  • 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: 3
  • 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: 3.2
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • PSA: 54.54000
  • LogP: 3.07800

Ethyl benzo[b]thiophene-7-carboxylate Security Information

  • HazardClass：IRRITANT

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