Cas no 57446-10-3 (3,5-dichloro-2-sulfanylbenzoic Acid)

3,5-dichloro-2-sulfanylbenzoic Acid structure
57446-10-3 structure
Product Name:3,5-dichloro-2-sulfanylbenzoic Acid
CAS No:57446-10-3
MF:C7H4Cl2O2S
MW:223.076458930969
CID:947049
PubChem ID:265089
Update Time:2025-04-19

3,5-dichloro-2-sulfanylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-dichloro-2-sulfanylbenzoic Acid
    • 2,4-dichloro-6-carboxybenzenethiol
    • 3,5-Dichlor-2-mercapto-benzoesaeure
    • 3,5-Dichloro-2-mercaptobenzoesaeure
    • 3,5-dichloro-2-mercaptobenzoic acid
    • 3,5-dichloro-2-mercapto-benzoic acid
    • 3,5-dichloro-2-sulfanyl-benzoic acid
    • AC1L6D7D
    • AC1Q3M9N
    • AR-1E9564
    • CTK1H2979
    • NCIOpen2_006853
    • NSC100893
    • 57446-10-3
    • SCHEMBL11025689
    • NSC-100893
    • DTXSID50295267
    • Inchi: 1S/C7H4Cl2O2S/c8-3-1-4(7(10)11)6(12)5(9)2-3/h1-2,12H,(H,10,11)
    • InChI Key: NTWYUZIIPPHVBQ-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC(C(=O)O)=C1S)Cl

Computed Properties

  • Exact Mass: 221.93102
  • Monoisotopic Mass: 221.9309059g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 2.9
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • PSA: 37.3
  • LogP: 2.98030
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