Cas no 58401-21-1 (3-methyl-1-benzothiophene-2-sulfonyl chloride)

3-methyl-1-benzothiophene-2-sulfonyl chloride structure
58401-21-1 structure
Product Name:3-methyl-1-benzothiophene-2-sulfonyl chloride
CAS No:58401-21-1
MF:C9H7ClO2S2
MW:246.733679056168
MDL:MFCD00210164
CID:1610363
PubChem ID:2736815
Update Time:2025-04-21

3-methyl-1-benzothiophene-2-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-2-sulfonyl chloride, 3-methyl-
    • 3-methyl-1-benzothiophene-2-sulfonyl chloride
    • AKOS000160911
    • ZYWPTEYCYRLUSL-UHFFFAOYSA-N
    • DB-152161
    • 3-methyl-1-benzothiophene-2-sulfonylchloride
    • 3-methylbenzo[b]thiophene-2-sulfonyl chloride
    • EN300-270953
    • MFCD00210164
    • methylbenzo[b]thiophene-2-sulphonyl chloride
    • 58401-21-1
    • 3-Methylbenzo[b]thiophene-2-sulphonyl chloride
    • SCHEMBL787663
    • CS-0244005
    • 3-methylbenzothiophene-2-sulfonyl Chloride
    • MDL: MFCD00210164
    • Inchi: 1S/C9H7ClO2S2/c1-6-7-4-2-3-5-8(7)13-9(6)14(10,11)12/h2-5H,1H3
    • InChI Key: ZYWPTEYCYRLUSL-UHFFFAOYSA-N
    • SMILES: ClS(C1=C(C)C2C=CC=CC=2S1)(=O)=O

Computed Properties

  • Exact Mass: 245.95771
  • Monoisotopic Mass: 245.958
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 309
  • 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: 3.7
  • Topological Polar Surface Area: 70.8?2

Experimental Properties

  • PSA: 34.14

3-methyl-1-benzothiophene-2-sulfonyl chloride Pricemore >>

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