CAS 1351398-76-9

1,1-Dimethylethyl 2-(3-methylphenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

Description:

1,1-Dimethylethyl 2-(3-methylphenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate, with CAS number 1351398-76-9, is a complex organic compound characterized by its unique spirocyclic structure, which incorporates both nitrogen and sulfur atoms. The presence of the thioxo group indicates that it contains a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The compound features a tert-butyl group (1,1-dimethylethyl), which enhances its lipophilicity and may influence its solubility in organic solvents. The aromatic 3-methylphenyl substituent suggests potential interactions in biological systems, possibly affecting its pharmacological properties. Additionally, the triazole-like framework may impart stability and influence the compound's electronic properties. Overall, this compound's structural complexity and functional groups suggest it could be of interest in medicinal chemistry and materials science, although specific applications would depend on further research into its properties and behavior in various environments.

Formula: C₁₉H₂₅N₃O₂S

InChI: InChI=1S/C19H25N3O2S/c1-13-6-5-7-14(12-13)15-16(25)21-19(20-15)8-10-22(11-9-19)17(23)24-18(2,3)4/h5-7,12H,8-11H2,1-4H3,(H,21,25)

InChI key: InChIKey=IVOQYOXSMMQLCE-UHFFFAOYSA-N

SMILES: S=C1NC2(N=C1C3=CC(C)=CC=C3)CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1,4,8-Triazaspiro[4.5]dec-1-ene-8-carboxylic acid, 2-(3-methylphenyl)-3-thioxo-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2-(3-methylphenyl)-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate