CAS 590354-68-0

5-[(2,5-dimethylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[(2,5-Dimethylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique triazole structure, which incorporates a thione functional group. This compound features a prop-2-en-1-yl group, contributing to its reactivity and potential applications in organic synthesis. The presence of the 2,5-dimethylphenoxy group enhances its lipophilicity, which may influence its biological activity and solubility in organic solvents. The triazole ring is known for its stability and ability to form coordination complexes, making this compound of interest in medicinal chemistry and agricultural applications, particularly as a potential fungicide or herbicide. Its thione group may also impart specific chemical properties, such as the ability to act as a nucleophile or participate in various chemical reactions. Overall, this compound's structural features suggest it may exhibit diverse biological activities, warranting further investigation into its potential uses in pharmaceuticals or agrochemicals.

Formula: C₁₄H₁₇N₃OS

InChI: InChI=1/C14H17N3OS/c1-4-7-17-13(15-16-14(17)19)9-18-12-8-10(2)5-6-11(12)3/h4-6,8H,1,7,9H2,2-3H3,(H,16,19)

SMILES: C=CCn1c(COc2cc(C)ccc2C)nnc1S

Synonyms:

• 4-allyl-5-[(2,5-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-triazole-3-thiol, 5-[(2,5-dimethylphenoxy)methyl]-4-(2-propen-1-yl)-

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

CAS: 590354-68-0

Formula: C₁₄H₁₇N₃OS

Purity: 95.0%

Molecular weight: 275.37

Ref: 10-F307748