Cas no 62497-27-2 (2,5-Thiophenedicarboxylic acid, 3,4-bis(4-methylphenyl)-)

2,5-Thiophenedicarboxylic acid, 3,4-bis(4-methylphenyl)- structure
62497-27-2 structure
Product Name:2,5-Thiophenedicarboxylic acid, 3,4-bis(4-methylphenyl)-
CAS No:62497-27-2
MF:C20H16O4S
MW:352.403644561768
CID:442723
PubChem ID:12294922
Update Time:2025-04-19

2,5-Thiophenedicarboxylic acid, 3,4-bis(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Thiophenedicarboxylic acid, 3,4-bis(4-methylphenyl)-
    • 3,4-bis(4-methylphenyl)thiophene-2,5-dicarboxylic acid
    • 62497-27-2
    • DTXSID00485398
    • 3,4-di-p-tolylthiophene-2,5-dicarboxylic acid
    • Inchi: 1S/C20H16O4S/c1-11-3-7-13(8-4-11)15-16(14-9-5-12(2)6-10-14)18(20(23)24)25-17(15)19(21)22/h3-10H,1-2H3,(H,21,22)(H,23,24)
    • InChI Key: RVFRVHAMDWVWLG-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(C2C=CC(C)=CC=2)C(=C1C(=O)O)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 352.07698
  • Monoisotopic Mass: 352.07693016g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 448
  • 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: 5.3
  • Topological Polar Surface Area: 103?2

Experimental Properties

  • PSA: 74.6

2,5-Thiophenedicarboxylic acid, 3,4-bis(4-methylphenyl)- Related Literature

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