Cas no 62404-08-4 (2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-)

2-Thiophenecarboxylic acid, 5-methyl-4-phenyl- structure
62404-08-4 structure
Product Name:2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-
CAS No:62404-08-4
MF:C12H10O2S
MW:218.271602153778
CID:445944
PubChem ID:821926
Update Time:2025-04-19

2-Thiophenecarboxylic acid, 5-methyl-4-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 5-methyl-4-phenyl-
    • 5-methyl-4-phenyl-thiophene-2-carboxylic acid
    • 5-methyl-4-phenylthiophene-2-carboxylic acid
    • 62404-08-4
    • QRIRUPDZWDDHQE-UHFFFAOYSA-N
    • SCHEMBL1797326
    • 5-methyl-4-phenyl-2-thiophenecarboxylic acid
    • 5-methyl-4-phenylthiophene-2-carboxylicacid
    • AA-516/30040046
    • DTXSID60356338
    • MDL: MFCD00834740
    • Inchi: 1S/C12H10O2S/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
    • InChI Key: QRIRUPDZWDDHQE-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC(=C1C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 218.0402
  • Monoisotopic Mass: 218.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 236
  • 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: 3.5
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • PSA: 37.3

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