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CAS 335215-60-6

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5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Description:
5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, with the CAS number 335215-60-6, 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 thiol group (-SH) and an ethyl substituent, contributing to its unique chemical properties. The presence of the 4-chlorophenoxy group enhances its potential for biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. The compound is likely to exhibit moderate to high solubility in organic solvents, while its thiol functionality may impart reactivity towards electrophiles and the ability to form disulfide bonds. Additionally, the triazole ring can participate in hydrogen bonding and coordination with metal ions, which may influence its reactivity and stability. Overall, this compound's structural features suggest potential applications in medicinal chemistry and as a fungicide or herbicide, although specific biological activities would require further investigation.
Formula:C11H12ClN3OS
InChI:InChI=1/C11H12ClN3OS/c1-2-15-10(13-14-11(15)17)7-16-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,14,17)
SMILES:CCn1c(COc2ccc(cc2)Cl)nnc1S
Synonyms:
  • 4H-1,2,4-Triazole-3-thiol, 5-[(4-chlorophenoxy)methyl]-4-ethyl-
  • 5-[(4-Chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
  • BAS 01290515
  • ZINC00244822
  • CHEMBRDG-BB 3018003
  • 5-[(4-chlorophenoxy)methyl]-4-ethyl-2H-1,2,4-triazole-3-thione
  • SBB009424
  • Albb-003304
  • 5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
  • Oprea1_486349
  • See more synonyms
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