Cas no 19829-29-9 (4-Mercaptopyridine)

4-Mercaptopyridine structure
4-Mercaptopyridine structure
Product Name:4-Mercaptopyridine
CAS No:19829-29-9
MF:C5H5NS
MW:111.164899587631
CID:2660049
PubChem ID:2723889
Update Time:2025-04-21

4-Mercaptopyridine Chemical and Physical Properties

Names and Identifiers

    • Pyridine-4(1H)-thione
    • Brn 0105392
    • 4-Thiopyridone
    • 4-Pyridinethione
    • 4(1H)-Pyridinethione
    • Pyridine, 4-mercapto-
    • 1H-pyridine-4-thione
    • DB-028941
    • 4-Thiopyridine
    • M0630
    • 7227-57-8
    • NSC76036
    • EINECS 224-926-1
    • NSC-76036
    • 4556-23-4
    • 5-21-07-00167 (Beilstein Handbook Reference)
    • A826843
    • SCHEMBL73739
    • 4-Mercaptopyridine
    • AC-24180
    • AKOS000187925
    • Pyridine-4-thiol
    • 4-PYRIDINETHIOL
    • FG-0489
    • ZH8DP7EE6V
    • NSC 76036
    • BRN 0105869
    • G64195
    • 4-Pyridinethiol; 4-Thiopyridine; 4-Sulfanylpyridine; NSC 76036
    • 4-mercapto-pyridine
    • 4mercaptopyridine
    • A1-01079
    • EN300-100322
    • DTXSID70878773
    • BP-10932
    • 4-Mercaptopyridine, 95%
    • MFCD00006422
    • 19829-29-9
    • 4-Pyridyl Mercaptan
    • NS00047951
    • 4-mercapto pyridine
    • CS-W013664
    • F10307
    • CHEMBL1688955
    • 4thiopyridine
    • Pyridine, 4mercapto
    • 224-926-1
    • Pyridine4thiol
    • 4-PS cpd
    • FM00239
    • Inchi: 1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
    • InChI Key: FHTDDANQIMVWKZ-UHFFFAOYSA-N
    • SMILES: S=C1C=CNC=C1

Computed Properties

  • Exact Mass: 111.01427034g/mol
  • Monoisotopic Mass: 111.01427034g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 121
  • 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: -0.7
  • Topological Polar Surface Area: 44.1?2
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