Cas no 4506-94-9 (2,3,4,5-Thiophenetetracarboxylicacid)

2,3,4,5-Thiophenetetracarboxylicacid structure
4506-94-9 structure
Product Name:2,3,4,5-Thiophenetetracarboxylicacid
CAS No:4506-94-9
MF:C8H4O8S
MW:260.177561759949
CID:333490
PubChem ID:280944
Update Time:2025-04-19

2,3,4,5-Thiophenetetracarboxylicacid Chemical and Physical Properties

Names and Identifiers

    • 2,3,4,5-Thiophenetetracarboxylicacid
    • thiophene-2,3,4,5-tetracarboxylic acid
    • 4506-94-9
    • thiophenetetracarboxylic
    • NSC133362
    • Thiophenetetracarboxylic acid
    • DTXSID30299864
    • NSC-133362
    • SCHEMBL22092
    • Inchi: 1S/C8H4O8S/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h(H,9,10)(H,11,12)(H,13,14)(H,15,16)
    • InChI Key: LUEGQDUCMILDOJ-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(C(=O)O)C(C(=O)O)=C1C(=O)O

Computed Properties

  • Exact Mass: 259.96262
  • Monoisotopic Mass: 259.96268826g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 355
  • 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: 0.4
  • Topological Polar Surface Area: 177?2

Experimental Properties

  • PSA: 149.2
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