CAS 16588-67-3

3-[Ethyl[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile

Description:

3-[Ethyl[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile, with the CAS number 16588-67-3, is a synthetic organic compound characterized by its complex structure, which includes multiple functional groups such as an ethyl group, a nitrile group, and a diazenyl moiety. The presence of a benzothiazole ring contributes to its potential biological activity, while the methylsulfonyl group may enhance solubility and reactivity. This compound is likely to exhibit properties typical of azo compounds, including potential colorimetric characteristics due to the diazenyl linkage. Its structure suggests possible applications in dye chemistry, pharmaceuticals, or as a biochemical probe, although specific applications would depend on further research into its reactivity and biological interactions. As with many synthetic compounds, safety and handling precautions are essential, given the potential toxicity associated with certain functional groups. Overall, this compound represents a fascinating example of the complexity found in organic chemistry and the diverse functionalities that can be engineered into a single molecule.

Formula: C₂₀H₂₁N₅O₂S₂

InChI: InChI=1S/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3

InChI key: InChIKey=IMWICXCTLULCFP-UHFFFAOYSA-N

SMILES: N(=NC1=C(C)C=C(N(CCC#N)CC)C=C1)C=2SC=3C(N2)=CC=C(S(C)(=O)=O)C3

Synonyms:

• Propanenitrile, 3-[ethyl[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]-
• Propanenitrile, 3-[ethyl[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-
• Propionitrile, 3-[N-ethyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]-m-toluidino]-
• 3-[Ethyl[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile