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CAS 64679-65-8

:

2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid

Description:
2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid, with the CAS number 64679-65-8, is a chemical compound characterized by its unique structure that includes a triazole ring and a thiol group. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of the carboxylic acid functional group, which can engage in hydrogen bonding. The triazole moiety contributes to its potential biological activity, making it of interest in pharmaceutical research, particularly in the development of antifungal agents. The presence of the thiol group may also impart reactivity, allowing for further chemical modifications. Additionally, this compound may exhibit specific melting and boiling points, which are influenced by its molecular interactions. Overall, 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid is a versatile compound with potential applications in medicinal chemistry and agrochemicals, owing to its unique structural features and functional groups.
Formula:C5H7N3O2S
InChI:InChI=1/C5H7N3O2S/c1-3-6-5(8-7-3)11-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChI key:InChIKey=OJUNWHNRDPRNBR-UHFFFAOYSA-N
SMILES:S(CC(O)=O)C=1NC(C)=NN1
Synonyms:
  • ((5-Methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
  • 2-((5-Methyl-1H-1,2,4-triazol-3-yl)thio)acetic acid
  • 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetic acid
  • 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
  • 2-[(5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
  • 2-[(5-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
  • Acetic acid, 2-[(5-methyl-4H-1,2,4-triazol-3-yl)thio]-
  • Acetic acid, [(5-methyl-1H-1,2,4-triazol-3-yl)thio]-
  • NSC 78999
  • Tiazotic acid
  • See more synonyms
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