CAS 261633-26-5

5-[4-(tert-butyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol

Description:

5-[4-(tert-butyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a thiol functional group (-SH), which contributes to its reactivity and potential applications in various chemical reactions. The presence of a tert-butyl group and a trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The compound's structure suggests potential applications in agrochemicals, as well as in materials science due to its unique electronic properties. Additionally, the trifluoromethyl group can impart desirable characteristics such as increased metabolic stability and altered solubility. Overall, this compound exemplifies the complexity and versatility of triazole derivatives in organic chemistry, with implications for both synthetic and applied chemistry fields.

Formula: C₁₉H₁₈F₃N₃S

InChI: InChI=1/C19H18F3N3S/c1-18(2,3)13-9-7-12(8-10-13)16-23-24-17(26)25(16)15-6-4-5-14(11-15)19(20,21)22/h4-11H,1-3H3,(H,24,26)

SMILES: CC(C)(C)c1ccc(cc1)c1nnc(n1c1cccc(c1)C(F)(F)F)S

Synonyms:

• 5-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

3H-1,2,4-Triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-4-[3-(trifluoromethyl)phenyl]-

CAS: 261633-26-5

Formula: C₁₉H₁₈F₃N₃S

Molecular weight: 377.4265

Ref: IN-DA002RXP

5-(4-tert-Butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol

CAS: 261633-26-5

5-(4-tert-Butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol

Purity: ≥95%

Molecular weight: 377.43g/mol

Ref: 54-PC9597