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CS-W001157 4
Total: USD 88.00

3-Methylpyridine-2-thiol

  • CAS No. 18368-66-6

  • Cat. No. CS-0448927
  • Molecule weight125.19
  • Purity≥98%
  • MDL No.None

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

3-Methylpyridine-2-thiol|CS-0448927

Structure of 18368-66-6

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General Information

  • CAS No. 18368-66-6
  • Cat. No. CS-0448927
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NS
  • Molecular Weight 125.19
  • Synonym(s) 3-Methyl-2-pyridinethiol
  • SMILES N1=C(C(=CC=C1)C)S

Description

3-Methylpyridine-2-thiol features a pyridine core with methyl and thiol substituents positioned for enhanced electron density at the sulfur site. This arrangement supports robust coordination in metal complexation and enables efficient integration into chelating ligands. The compound exhibits bench-stable handling under standard conditions, facilitating use in synthetic workflows requiring reliable sulfur functionality.

Application

3-Methylpyridine-2-thiol serves as a versatile building block in heterocyclic synthesis, enabling direct functionalization at the pyridine ring and thiol group. Its ortho-thiol positioning facilitates chelation and metal coordination, while the methyl substituent enhances regioselectivity in electrophilic substitution. The compound exhibits good bench stability and compatibility with standard purification protocols, making it suitable for use in medicinal chemistry and catalyst design workflows.

Synthesis

  • Route1

    References

    • ACTELION PHARMACEUTICALS LTD. Patent: WO2004/33418 A2, 2004 ; Location in patent: Page 35 ; WO 2004/033418 A2
  • Route2

    References

    • Sankyo Company, Limited Patent: US5541317 A1, 1996 ;
  • Route3

    References

    • Sankyo Company, Limited Patent: US5541317 A1, 1996 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   1.67872
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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