CAS 1078162-96-5

3H-Benz[g]indolium, 1,2,3,3-tetramethyl-, 4-methylbenzenesulfonate (1:1)

Description:

3H-Benz[g]indolium, 1,2,3,3-tetramethyl-, 4-methylbenzenesulfonate (1:1) is a chemical compound characterized by its complex structure, which includes a benz[g]indole core substituted with four methyl groups and a sulfonate group derived from 4-methylbenzenesulfonic acid. This compound typically exhibits properties associated with indole derivatives, such as potential fluorescence and photochemical activity, making it of interest in various applications, including organic electronics and dye chemistry. The presence of the sulfonate group enhances its solubility in polar solvents, which is advantageous for its use in biological and chemical systems. Additionally, the tetramethyl substitution can influence the electronic properties and stability of the molecule. As with many organic compounds, its behavior can be affected by environmental factors such as pH and solvent polarity. Overall, this compound represents a unique intersection of organic chemistry and materials science, with potential implications in research and industrial applications.

Formula: C₁₆H₁₈N·C₇H₇O₃S

InChI: InChI=1S/C16H18N.C7H8O3S/c1-11-16(2,3)14-10-9-12-7-5-6-8-13(12)15(14)17(11)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChI key: InChIKey=DSWRUXUPGIRLBE-UHFFFAOYSA-M

SMILES: C[N+]=1C2=C(C(C)(C)C1C)C=CC=3C2=CC=CC3.S(=O)(=O)([O-])C1=CC=C(C)C=C1

Synonyms:

• 3H-Benz[g]indolium, 1,2,3,3-tetramethyl-, 4-methylbenzenesulfonate (1:1)
• 1,2,3,3-Tetramethyl-3H-benzo[g]indol-1-ium 4-methylbenzene-1-sulfonate