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CAS 867330-06-1

:

Ethyl 4-cyclohexyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-3-acetate

Description:
Ethyl 4-cyclohexyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-3-acetate, identified by its CAS number 867330-06-1, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This particular compound features a thioxo group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its unique reactivity and potential biological activity. The ethyl acetate moiety suggests that it may exhibit solubility in organic solvents, making it useful in various applications, including pharmaceuticals and agrochemicals. The cyclohexyl group adds to its hydrophobic character, potentially influencing its interaction with biological membranes. The compound's structure may confer specific pharmacological properties, making it a candidate for further research in medicinal chemistry. Overall, its unique combination of functional groups and structural features positions it as an interesting subject for studies related to its synthesis, reactivity, and potential applications in various fields.
Formula:C12H19N3O2S
InChI:InChI=1S/C12H19N3O2S/c1-2-17-11(16)8-10-13-14-12(18)15(10)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,14,18)
InChI key:InChIKey=FFWGQDVNCMFKBS-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)C=1N(C(=S)NN1)C2CCCCC2
Synonyms:
  • Ethyl 4-cyclohexyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-3-acetate
  • 1H-1,2,4-Triazole-3-acetic acid, 4-cyclohexyl-4,5-dihydro-5-thioxo-, ethyl ester
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