CAS 667413-67-4

5-[1-(2,3-Dimethylphenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[1-(2,3-Dimethylphenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 667413-67-4, 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 compound also contains an ethyl group and a phenoxyethyl substituent, which contributes to its lipophilicity and potential biological activity. Its structural complexity suggests potential applications in pharmaceuticals, particularly in the development of agrochemicals or as a fungicide, due to the presence of the triazole moiety, which is known for its ability to inhibit fungal growth. The compound's solubility, stability, and reactivity would depend on its specific functional groups and the overall molecular structure, making it a subject of interest for further research in medicinal chemistry and related fields.

Formula: C₁₄H₁₉N₃OS

InChI: InChI=1S/C14H19N3OS/c1-5-17-13(15-16-14(17)19)11(4)18-12-8-6-7-9(2)10(12)3/h6-8,11H,5H2,1-4H3,(H,16,19)

InChI key: InChIKey=CHBONOSKQMPUDM-UHFFFAOYSA-N

SMILES: C(OC1=C(C)C(C)=CC=C1)(C)C=2N(CC)C(=S)NN2

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[1-(2,3-dimethylphenoxy)ethyl]-4-ethyl-2,4-dihydro-
• 5-[1-(2,3-Dimethylphenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

CAS: 667413-67-4

Formula: C₁₄H₁₉N₃OS

Purity: 95.0%

Molecular weight: 277.39

Ref: 10-F307807