Cas no 880641-77-0 (2-(5E)-5-1-(4-fluorophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid)

2-(5E)-5-1-(4-fluorophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid structure
880641-77-0 structure
Product Name:2-(5E)-5-1-(4-fluorophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid
CAS No:880641-77-0
MF:C13H12FNO4S3
MW:361.432083129883
CID:5931412
PubChem ID:6384878
Update Time:2023-11-22

2-(5E)-5-1-(4-fluorophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(5E)-5-1-(4-fluorophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid
    • 2-[(5E)-5-[1-(4-fluorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
    • F1691-2527
    • 2-[(5E)-5-[1-(4-fluorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid
    • AKOS002202433
    • (E)-2-(5-(1-(4-fluorophenyl)ethylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
    • 880641-77-0
    • Inchi: 1S/C13H12FNO4S3/c1-8(9-2-4-10(14)5-3-9)11-12(16)15(13(20)21-11)6-7-22(17,18)19/h2-5H,6-7H2,1H3,(H,17,18,19)/b11-8+
    • InChI Key: FRJHHBQTGXYQFF-DHZHZOJOSA-N
    • SMILES: S(C([H])([H])C([H])([H])N1C(=S)S/C(=C(\C([H])([H])[H])/C2C([H])=C([H])C(=C([H])C=2[H])F)/C1=O)(=O)(=O)O[H]

Computed Properties

  • Exact Mass: 360.99124955g/mol
  • Monoisotopic Mass: 360.99124955g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 603
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 140?2

2-(5E)-5-1-(4-fluorophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid Pricemore >>

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2-(5E)-5-1-(4-fluorophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid Related Literature

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