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CAS 175276-75-2

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5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione

Description:
5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione, with CAS number 175276-75-2, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom within the triazole framework. The presence of a bulky tert-butyl group attached to a phenyl ring enhances its lipophilicity and may influence its biological activity. The compound is likely to exhibit properties typical of triazoles, such as potential fungicidal or herbicidal activity, making it of interest in agricultural chemistry. Additionally, the presence of the thione group may contribute to its reactivity and interaction with various biological targets. Overall, this compound's unique structural features suggest it could have applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.
Formula:C13H17N3S
InChI:InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17)
InChI key:InChIKey=WBHKPLKLHZOBRB-UHFFFAOYSA-N
SMILES:CN1C(=NNC1=S)C2=CC=C(C(C)(C)C)C=C2
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-4-methyl-
  • 5-(4-tert-Butylphenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
  • 5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
  • 5-[4-(Tert-Butyl)Phenyl]-4-Methyl-4H-1,2,4-Triazole-3-Thiol
  • Akos Bbs-00003331
  • Art-Chem-Bb B018028
  • Buttpark 44\03-86
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