Cas no 96803-86-0 (4-methoxyBenzo[b]thiophene-2-sulfonyl chloride)

4-methoxyBenzo[b]thiophene-2-sulfonyl chloride structure
96803-86-0 structure
Product Name:4-methoxyBenzo[b]thiophene-2-sulfonyl chloride
CAS No:96803-86-0
MF:C9H7ClO3S2
MW:262.733079195023
CID:2107183
PubChem ID:86125204
Update Time:2025-04-21

4-methoxyBenzo[b]thiophene-2-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-methoxyBenzo[b]thiophene-2-sulfonyl chloride
    • 4-Methoxy-1-benzothiophene-2-sulfonyl chloride
    • DA-19882
    • 96803-86-0
    • Inchi: 1S/C9H7ClO3S2/c1-13-7-3-2-4-8-6(7)5-9(14-8)15(10,11)12/h2-5H,1H3
    • InChI Key: NWNPJGSCRUUWGS-UHFFFAOYSA-N
    • SMILES: ClS(C1=CC2C(=CC=CC=2S1)OC)(=O)=O

Computed Properties

  • Exact Mass: 261.9525141Da
  • Monoisotopic Mass: 261.9525141Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 325
  • 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: 3.3
  • Topological Polar Surface Area: 80?2
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