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CAS 26028-64-8

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5-(3-Chlorophenyl)-2,4-dihydro-4-(2-methylpropyl)-3H-1,2,4-triazole-3-thione

Description:
5-(3-Chlorophenyl)-2,4-dihydro-4-(2-methylpropyl)-3H-1,2,4-triazole-3-thione, with CAS number 26028-64-8, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This particular triazole derivative features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The presence of a 3-chlorophenyl group enhances its lipophilicity and may influence its interaction with biological targets. The compound is characterized by its moderate to high stability under standard conditions, although it may be sensitive to moisture and light. It is often studied for its potential applications in agriculture, particularly as a fungicide or herbicide, due to its ability to inhibit specific biological pathways in target organisms. Additionally, its structural features may confer interesting pharmacological properties, making it a subject of interest in medicinal chemistry research.
Formula:C12H14ClN3S
InChI:InChI=1S/C12H14ClN3S/c1-8(2)7-16-11(14-15-12(16)17)9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3,(H,15,17)
InChI key:InChIKey=NPNVFRBBSDZLNK-UHFFFAOYSA-N
SMILES:C(C(C)C)N1C(=NNC1=S)C2=CC(Cl)=CC=C2
Synonyms:
  • 5-(3-Chlorophenyl)-2,4-dihydro-4-(2-methylpropyl)-3H-1,2,4-triazole-3-thione
  • 4H-1,2,4-Triazole-3-thiol, 5-(m-chlorophenyl)-4-isobutyl-
  • 3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-2,4-dihydro-4-(2-methylpropyl)-
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