Cas no 30489-80-6 (Benzo[b]thiophene, 5-chloro-2-methyl-)

Benzo[b]thiophene, 5-chloro-2-methyl- structure
30489-80-6 structure
Product Name:Benzo[b]thiophene, 5-chloro-2-methyl-
CAS No:30489-80-6
MF:C9H7ClS
MW:182.669880151749
CID:1442917
PubChem ID:2747689
Update Time:2025-04-20

Benzo[b]thiophene, 5-chloro-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene, 5-chloro-2-methyl-
    • TQP1610
    • SCHEMBL144549
    • 5-chloro-2-methylbenzo[b]thiophene
    • 5-Chloro-2-methyl-benzo[b]thiophene
    • 5-chloro-2-methylbenzothiophene
    • 30489-80-6
    • TZRLJRADEMLICJ-UHFFFAOYSA-N
    • Inchi: 1S/C9H7ClS/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
    • InChI Key: TZRLJRADEMLICJ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)C=C(C)S2

Computed Properties

  • Exact Mass: 181.99581
  • Monoisotopic Mass: 181.996
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • 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: 4
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 0
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