Cas no 113366-76-0 (4-Thiazolecarboxylic acid, 2-ethyl-5-methyl-)

4-Thiazolecarboxylic acid, 2-ethyl-5-methyl- structure
113366-76-0 structure
Product Name:4-Thiazolecarboxylic acid, 2-ethyl-5-methyl-
CAS No:113366-76-0
MF:C7H9NO2S
MW:171.216860532761
CID:1201846
PubChem ID:13835315
Update Time:2025-04-20

4-Thiazolecarboxylic acid, 2-ethyl-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylic acid, 2-ethyl-5-methyl-
    • 113366-76-0
    • SCHEMBL6502840
    • XJWWVWWDMLFLCZ-UHFFFAOYSA-N
    • 2-ethyl-5-methyl-1,3-thiazole-4-carboxylic acid
    • 2-Ethyl-5-methyl-4-thiazolecarboxylic acid
    • DTXSID801267506
    • 2-ethyl-5-methylthiazole-4-carboxylic acid
    • Inchi: 1S/C7H9NO2S/c1-3-5-8-6(7(9)10)4(2)11-5/h3H2,1-2H3,(H,9,10)
    • InChI Key: XJWWVWWDMLFLCZ-UHFFFAOYSA-N
    • SMILES: S1C(C)=C(C(=O)O)N=C1CC

Computed Properties

  • Exact Mass: 171.03539970g/mol
  • Monoisotopic Mass: 171.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 163
  • 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: 2
  • Topological Polar Surface Area: 78.4?2
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