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CAS 26029-09-4

:

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

Description:
2,4-Dihydro-4-(1-methylethyl)-5-phenyl-3H-1,2,4-triazole-3-thione, identified by its CAS number 26029-09-4, is a chemical compound belonging to the triazole family, characterized by its five-membered ring structure containing nitrogen atoms. This compound features a thione functional group, which is a sulfur-containing analogue of a ketone, contributing to its reactivity and potential applications in various fields. The presence of the isopropyl group (1-methylethyl) and phenyl group enhances its lipophilicity and may influence its biological activity. Typically, triazoles exhibit antifungal and herbicidal properties, making this compound of interest in agricultural chemistry. Its unique structure may also allow for interactions with biological targets, suggesting potential pharmacological applications. The compound is likely to be solid at room temperature and may require specific conditions for storage and handling due to its chemical properties. As with many triazoles, it is essential to consider safety data and regulatory information when working with this substance.
Formula:C11H13N3S
InChI:InChI=1S/C11H13N3S/c1-8(2)14-10(12-13-11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,15)
InChI key:InChIKey=GYEMVRVUKFGVOL-UHFFFAOYSA-N
SMILES:C(C)(C)N1C(=NNC1=S)C2=CC=CC=C2
Synonyms:
  • 2,4-Dihydro-4-(1-methylethyl)-5-phenyl-3H-1,2,4-triazole-3-thione
  • 4H-1,2,4-Triazole-3-thiol, 4-isopropyl-5-phenyl-
  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(1-methylethyl)-5-phenyl-
  • 3-Phenyl-4-propan-2-yl-1H-1,2,4-triazole-5-thione
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