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CS-W001157 4
Total: USD 88.00

Benzo[d]thiazole-6-carboxylic acid

  • CAS No. 3622-35-3

  • Cat. No. CS-W017274
  • Purity≥98%
  • MDL No.MFCD00111651

*For research and further manufacturing use only, not for direct human use.

Benzo[d]thiazole-6-carboxylic acid|CS-W017274

Structure of 3622-35-3

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General Information

  • CAS No. 3622-35-3
  • Cat. No. CS-W017274
  • Purity ≥98%
  • MDL No. MFCD00111651
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₂S
  • Molecular Weight 179.19
  • Synonym(s) Benzothiazole-6-carboxylic acid
  • SMILES O=C(C1=CC=C2N=CSC2=C1)O

Application

Benzo[d]thiazole-6-carboxylic acid serves as a versatile building block for heterocyclic scaffolds in medicinal chemistry and materials science. Its carboxylic acid functionality enables direct amidation, esterification, and coupling reactions under standard conditions. The benzo[d]thiazole core exhibits good bench stability and functional group tolerance, facilitating incorporation into diverse molecular architectures. This compound functions effectively in the synthesis of kinase inhibitors, fluorescent probes, and advanced organic semiconductors.

Synthesis

  • Route1

    References

    • Zhurnal Obshchei Khimii, , vol. 20, p. 1191,1195; engl. Ausg. S. 1235, 1239
  • Route2
    • 1,3-benzothiazole-6-carbonitrile|CS-0071759
      58249-61-9
    • ~%
    • In-stock
      Benzo[d]thiazole-6-carboxylic acid|CS-W017274
      3622-35-3

    References

    • Journal of the Chemical Society, , p. 355,361
  • Route3
    • null|null
      114224-05-4
    • ~%
    • In-stock
      Benzo[d]thiazole-6-carboxylic acid|CS-W017274
      3622-35-3

    References

    • Journal of Medicinal Chemistry, , vol. 11, # 2 p. 270 - 273

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.9945
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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