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CAS 26029-10-7

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2,4-Dihydro-4-(2-methylpropyl)-5-phenyl-3H-1,2,4-triazole-3-thione

Description:
2,4-Dihydro-4-(2-methylpropyl)-5-phenyl-3H-1,2,4-triazole-3-thione, with the CAS number 26029-10-7, is a chemical compound belonging 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 compound exhibits a unique structure characterized by a phenyl group and a branched alkyl substituent, which can influence its solubility and interaction with biological systems. It is often studied for its potential applications in agriculture, particularly as a fungicide or herbicide, due to its ability to inhibit specific enzymatic pathways in target organisms. Additionally, the presence of the triazole ring may confer antifungal properties, making it of interest in medicinal chemistry. Overall, its diverse functional groups and structural features suggest a range of potential applications in both agricultural and pharmaceutical contexts.
Formula:C12H15N3S
InChI:InChI=1S/C12H15N3S/c1-9(2)8-15-11(13-14-12(15)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)
InChI key:InChIKey=FPKHPCNVTZTQPN-UHFFFAOYSA-N
SMILES:C(C(C)C)N1C(=NNC1=S)C2=CC=CC=C2
Synonyms:
  • 2,4-Dihydro-4-(2-methylpropyl)-5-phenyl-3H-1,2,4-triazole-3-thione
  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methylpropyl)-5-phenyl-
  • 4-Isobutyl-5-phenyl-4H-1,2,4-triazole-3-thiol
  • 4H-1,2,4-Triazole-3-thiol, 4-(2-methylpropyl)-5-phenyl-
  • 4H-1,2,4-Triazole-3-thiol, 4-isobutyl-5-phenyl-
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