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CAS 24127-59-1

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Methyl 2-(1H-1,2,4-triazol-5-ylthio)acetate

Description:
Methyl 2-(1H-1,2,4-triazol-5-ylthio)acetate is a chemical compound characterized by its unique structure, which includes a triazole ring and a thioether functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water. The presence of the triazole moiety suggests potential applications in pharmaceuticals, particularly as a building block in the synthesis of biologically active compounds. The thioether group may impart specific reactivity, making it useful in various chemical reactions, including nucleophilic substitutions. Additionally, this compound may exhibit antimicrobial or antifungal properties, which are common in triazole derivatives. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity. Overall, Methyl 2-(1H-1,2,4-triazol-5-ylthio)acetate is a versatile compound with significant implications in chemical synthesis and medicinal chemistry.
Formula:C5H7N3O2S
InChI:InChI=1S/C5H7N3O2S/c1-10-4(9)2-11-5-6-3-7-8-5/h3H,2H2,1H3,(H,6,7,8)
InChI key:InChIKey=KLFSTRVXOZDNGG-UHFFFAOYSA-N
SMILES:S(CC(OC)=O)C=1NC=NN1
Synonyms:
  • Methyl 2-(1H-1,2,4-triazol-5-ylthio)acetate
  • Acetic acid, (s-triazol-3-ylthio)-, methyl ester
  • Acetic acid, 2-(1H-1,2,4-triazol-5-ylthio)-, methyl ester
  • Acetic acid, (1H-1,2,4-triazol-3-ylthio)-, methyl ester
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