Cas no 113366-57-7 (5-Thiazolecarboxylic acid, 4-ethyl-2-phenyl-)

5-Thiazolecarboxylic acid, 4-ethyl-2-phenyl- structure
113366-57-7 structure
Product Name:5-Thiazolecarboxylic acid, 4-ethyl-2-phenyl-
CAS No:113366-57-7
MF:C12H11NO2S
MW:233.286241769791
CID:1201842
PubChem ID:13835305
Update Time:2025-04-20

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

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 4-ethyl-2-phenyl-
    • 4-ethyl-2-phenyl-5-Thiazolecarboxylic acid
    • 113366-57-7
    • DA-39443
    • 4-ethyl-2-phenyl-thiazole-5-carboxylic acid
    • 4-ethyl-2-phenylthiazole-5-carboxylic acid
    • SCHEMBL16702679
    • 4-ethyl-2-phenylthiazole-5-carboxylicacid
    • 4-ethyl-2-phenyl-1,3-thiazole-5-carboxylic acid
    • Inchi: 1S/C12H11NO2S/c1-2-9-10(12(14)15)16-11(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)
    • InChI Key: NMDCCGPEKLQCDC-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(CC)N=C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 233.05113
  • Monoisotopic Mass: 233.05104977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 253
  • 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: 3.3
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 50.19

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