CAS 306937-18-8

5-[3-tert-butyl-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

The chemical substance known as 5-[3-tert-butyl-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 306937-18-8, is a complex organic compound characterized by its multi-ring structure and the presence of various functional groups. This compound features a triazole ring, which is known for its biological activity, and a pyrazole moiety that contributes to its potential pharmacological properties. The presence of tert-butyl and dichlorobenzyl groups suggests that the compound may exhibit lipophilicity, which can influence its solubility and permeability in biological systems. Additionally, the thione functional group may impart specific reactivity and stability characteristics. Such compounds are often investigated for their potential applications in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals, due to their diverse structural features that can interact with biological targets. Overall, this substance exemplifies the complexity and diversity of modern synthetic organic chemistry.

Formula: C₁₇H₁₉Cl₂N₅S

InChI: InChI=1/C17H19Cl2N5S/c1-17(2,3)14-8-13(15-20-21-16(25)23(15)4)24(22-14)9-10-5-6-11(18)7-12(10)19/h5-8H,9H2,1-4H3,(H,21,25)

SMILES: CC(C)(C)c1cc(c2nnc(n2C)S)n(Cc2ccc(cc2Cl)Cl)n1

Synonyms:

• 4H-1,2,4-triazole-3-thiol, 5-[1-[(2,4-dichlorophenyl)methyl]-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-4-methyl-
• 5-[3-tert-Butyl-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol

5-[3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol

CAS: 306937-18-8

5-[3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol

Purity: ≥95%

Molecular weight: 396.34g/mol

Ref: 54-OR30053