CAS 590353-81-4

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

Description:

The chemical substance known as 5-[(2-chloro-5-methylphenoxy)methyl]-4-prop-2-en-1-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 590353-81-4, is a member of the triazole family, characterized by its unique structural features that include a triazole ring and a thione functional group. This compound exhibits potential biological activity, often investigated for its role in agricultural applications, particularly as a fungicide or herbicide. The presence of the chloro and methyl groups on the phenoxy moiety contributes to its lipophilicity and may enhance its interaction with biological targets. Additionally, the allyl group attached to the triazole ring can influence its reactivity and stability. The compound's solubility, stability, and reactivity are influenced by its functional groups, making it a subject of interest in both synthetic and medicinal chemistry. As with many triazole derivatives, it may also exhibit antifungal properties, which are valuable in crop protection and disease management.

Formula: C₁₃H₁₄ClN₃OS

InChI: InChI=1/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-7-9(2)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H,16,19)

SMILES: C=CCn1c(COc2cc(C)ccc2Cl)nnc1S

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

CAS: 590353-81-4

Formula: C₁₃H₁₄ClN₃OS

Purity: 95.0%

Molecular weight: 295.79

Ref: 10-F307751