Cas no 881825-80-5 (2-(5E)-5-1-(4-aminophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid)

2-(5E)-5-1-(4-aminophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid structure
881825-80-5 structure
Product Name:2-(5E)-5-1-(4-aminophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid
CAS No:881825-80-5
MF:C13H14N2O4S3
MW:358.456259250641
CID:5916958
PubChem ID:6384881
Update Time:2023-11-22

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

Names and Identifiers

    • 3-Thiazolidineethanesulfonic acid, 5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-thioxo-
    • AKOS002202467
    • 881825-80-5
    • 2-[(5E)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
    • (E)-2-(5-(1-(4-aminophenyl)ethylidene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
    • F1691-2643
    • 2-[(5E)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid
    • 2-(5E)-5-1-(4-aminophenyl)ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-ylethane-1-sulfonic acid
    • Inchi: 1S/C13H14N2O4S3/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,6-7,14H2,1H3,(H,17,18,19)
    • InChI Key: ZBGPRWJZKPYTBA-UHFFFAOYSA-N
    • SMILES: S1C(=C(C2=CC=C(N)C=C2)C)C(=O)N(CCS(O)(=O)=O)C1=S

Computed Properties

  • Exact Mass: 358.01157045g/mol
  • Monoisotopic Mass: 358.01157045g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 601
  • 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: 1.8
  • Topological Polar Surface Area: 167?2

Experimental Properties

  • Density: 1.61±0.1 g/cm3(Predicted)
  • pka: 1.26±0.50(Predicted)

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

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

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