Cas no 933720-99-1 (5-formyl-1,3-thiazole-4-carboxylic acid)

5-Formyl-1,3-thiazole-4-carboxylic acid is a heterocyclic compound featuring both a formyl and carboxylic acid functional group on a thiazole scaffold. This structure makes it a versatile intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functional materials. The presence of reactive formyl and carboxyl groups enables diverse derivatization pathways, including condensation, cyclization, and amidation reactions. Its thiazole core contributes to potential biological activity, often explored in medicinal chemistry. The compound is valued for its synthetic utility, offering a balance of stability and reactivity for constructing complex molecular architectures. Proper handling under controlled conditions is recommended due to its functional group sensitivity.
5-formyl-1,3-thiazole-4-carboxylic acid structure
933720-99-1 structure
Product Name:5-formyl-1,3-thiazole-4-carboxylic acid
CAS No:933720-99-1
MF:C5H3NO3S
MW:157.147219896317
MDL:MFCD18088939
CID:999651
PubChem ID:45121733
Update Time:2025-06-08

5-formyl-1,3-thiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylic acid, 5-formyl-
    • 5-formyl-1,3-thiazole-4-carboxylic acid
    • 5-Formyl-thiazole-4-carboxylic acid
    • 5-formylthiazole-4-carboxylicacid
    • EN300-318138
    • 933720-99-1
    • 5-formylthiazole-4-carboxylic acid
    • CS-0266346
    • DB-284034
    • 4-Thiazolecarboxylic acid, 5-formyl-
    • MDL: MFCD18088939
    • Inchi: 1S/C5H3NO3S/c7-1-3-4(5(8)9)6-2-10-3/h1-2H,(H,8,9)
    • InChI Key: SAVHOXXHGACDMJ-UHFFFAOYSA-N
    • SMILES: S1C=NC(C(=O)O)=C1C=O

Computed Properties

  • Exact Mass: 156.983
  • Monoisotopic Mass: 156.983
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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
  • Topological Polar Surface Area: 95.5A^2
  • XLogP3: 0.6

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