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6-Methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one

  • CAS No. 1566-32-1

  • Cat. No. CS-0074389
  • Molecule weight157.19
  • Purity≥97%
  • MDL No.MFCD00711682

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

6-Methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one|CS-0074389

Structure of 1566-32-1

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General Information

  • CAS No. 1566-32-1
  • Cat. No. CS-0074389
  • Purity ≥97%
  • MDL No. MFCD00711682
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃OS
  • Molecular Weight 157.19
  • Synonym(s) IFLAB-BB F1894-0137
  • SMILES O=C1NC(SC)=NN=C1C

Description

6-Methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one is a bench-stable heterocyclic compound featuring a sulfanyl group that enhances reactivity in cross-coupling processes. This electron-deficient triazinone scaffold enables efficient incorporation into functionalized molecular architectures under mild conditions.

Application

6-Methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of triazinone-based heterocycles. Its methylsulfanyl group enhances synthetic flexibility and functional group tolerance, while the electrophilic C5 position facilitates nucleophilic substitution under mild conditions. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   58.64
  • LogP   0.19522
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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