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CAS 22244-62-8

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1-Methyl-5-thioxo-1,2,4-triazolidin-3-one

Description:
1-Methyl-5-thioxo-1,2,4-triazolidin-3-one is a heterocyclic compound characterized by its triazolidinone structure, which includes a five-membered ring containing three nitrogen atoms and two carbon atoms. The presence of a thioxo group (a sulfur atom double-bonded to a carbon atom) contributes to its unique reactivity and potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of functional groups that can engage in hydrogen bonding. Its molecular structure suggests potential applications in pharmaceuticals, particularly as a scaffold for drug development, owing to the biological significance of triazolidinones. Additionally, the methyl group at the 1-position can influence the compound's lipophilicity and overall pharmacokinetic properties. As with many heterocycles, the electronic properties imparted by the nitrogen and sulfur atoms can affect its reactivity and interaction with biological targets. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.
Formula:C3H5N3OS
InChI:InChI=1S/C3H5N3OS/c1-6-3(8)4-2(7)5-6/h1H3,(H2,4,5,7,8)
InChI key:InChIKey=OOTVRBPTSHCZJI-UHFFFAOYSA-N
SMILES:S=C1N(C)NC(=O)N1
Synonyms:
  • 3-Hydroxy-1-methyl-5-mercapto-1,2,4-triazole
  • 1,2,4-Triazolidin-3-one, 1-methyl-5-thioxo-
  • 1-Methyl-3-hydroxy-5-mercapto-1,2,4-triazole
  • 1-Methyl-5-thioxo-1,2,4-triazolidin-3-one
  • Bicarbamimide, 2-methyl-1-thio-
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