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CS-W001157 4
Total: USD 88.00

2-Mercaptonicotinic acid

  • CAS No. 38521-46-9

  • Cat. No. CS-W020029
  • Purity≥97%
  • MDL No.MFCD00010102

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

2-Mercaptonicotinic acid|CS-W020029

Structure of 38521-46-9

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General Information

  • CAS No. 38521-46-9
  • Cat. No. CS-W020029
  • Purity ≥97%
  • MDL No. MFCD00010102
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₂S
  • Molecular Weight 155.17
  • Synonym(s) None
  • SMILES O=C(C1=CC=CNC1=S)O

Application

2-Thioxo-1,2-dihydropyridine-3-carboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyridine-based scaffolds through standard condensation and cyclization protocols. Its dual functionality—carboxylic acid and thioxo group—facilitates diverse transformations, including amide coupling and metal-catalyzed cross-couplings. The compound exhibits bench stability and moderate solubility, supporting straightforward purification and integration into multi-step synthetic sequences for medicinal chemistry and materials applications.

Synthesis

  • Route1

    References

    • Fibel; Spoerri Journal of the American Chemical Society, 1948 , vol. 70, p. 3908,3910
  • Route2

    References

    • Fibel; Spoerri Journal of the American Chemical Society, 1948 , vol. 70, p. 3908,3910

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   53.09
  • LogP   1.44239
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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