CAS 63031-39-0

5,6-bis(4-methylphenyl)-1,2,4-triazine-3(2H)-thione

Description:

5,6-bis(4-methylphenyl)-1,2,4-triazine-3(2H)-thione, with CAS number 63031-39-0, is an organic compound characterized by its triazine core, which is a six-membered heterocyclic ring containing three nitrogen atoms. This compound features two 4-methylphenyl groups attached to the 5 and 6 positions of the triazine ring, contributing to its aromatic character and potentially influencing its electronic properties. The presence of the thione functional group (–S=) at the 3 position enhances its reactivity and may impart unique chemical behavior, such as coordination with metal ions or participation in nucleophilic reactions. The compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic substituents. Its structural features suggest potential applications in fields such as materials science, pharmaceuticals, or as a ligand in coordination chemistry. However, specific properties such as melting point, boiling point, and spectral data would require empirical measurement or detailed literature references for comprehensive characterization.

Formula: C₁₇H₁₅N₃S

InChI: InChI=1/C17H15N3S/c1-11-3-7-13(8-4-11)15-16(19-20-17(21)18-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,20,21)

SMILES: Cc1ccc(cc1)c1c(c2ccc(C)cc2)nnc(n1)S

Synonyms:

• 1,2,4-Triazine-3-Thiol, 5,6-Bis(4-Methylphenyl)-
• 5,6-Bis(4-methylphenyl)-1,2,4-triazine-3-thiol
• 5,6-Di-p-tolyl-[1,2,4]triazine-3-thiol

Bis(4-methylphenyl)-1,2,4-triazine-3-thiol

CAS: 63031-39-0

Versatile small molecule scaffold

Formula: C₁₇H₁₅N₃S

Purity: Min. 95%

Molecular weight: 293.4 g/mol

Ref: 3D-NCA03139