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CS-W001157 4
Total: USD 88.00

6-Benzothiazolol

  • CAS No. 13599-84-3

  • Cat. No. CS-W000059
  • Purity≥95%
  • MDL No.MFCD00057883

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

6-Benzothiazolol|CS-W000059

Structure of 13599-84-3

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General Information

  • CAS No. 13599-84-3
  • Cat. No. CS-W000059
  • Purity ≥95%
  • MDL No. MFCD00057883
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NOS
  • Molecular Weight 151.19
  • Synonym(s) 6-Hydroxybenzothiazole
  • SMILES OC1=CC=C2N=CSC2=C1

Description

6-Benzothiazolol features a fused benzene-thiazole core with a phenolic hydroxyl group at the 6-position, conferring enhanced solubility and hydrogen-bonding capacity. This structural motif enables direct integration into bioactive scaffolds, serving as a key intermediate for pharmaceuticals and fluorescent probes.

Application

6-Benzothiazolol serves as a versatile heterocyclic building block, enabling the synthesis of benzothiazole-based scaffolds prevalent in medicinal chemistry and materials science. Its phenolic hydroxyl group offers direct functionalization potential, while the fused thiazole ring provides structural rigidity and enhanced metabolic stability. The compound exhibits good bench stability and facilitates efficient coupling reactions under standard conditions, making it suitable for modular library synthesis and process-scale applications.

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 18, # 20 p. 5435 - 5438
  • Route2

    References

    • US6573264 B1, ;
  • Route3
    • 6-Hydroxybenzo[d]thiazole-2-carboxylic acid|CS-1048241
      129058-50-0
    • ~74%
    • In-stock
      6-Benzothiazolol|CS-W000059
      13599-84-3

    References

    • Synthesis, , # 12 p. 1780 - 1783

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.12
  • LogP   2.0019
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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