CAS 23216-67-3

Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-buten-1-yl]-, inner salt, compd. with N,N-diethylethanamine (1:1)

Description:

Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-buten-1-yl]-, inner salt, compd. with N,N-diethylethanamine (CAS 23216-67-3) is a complex organic compound characterized by its unique structural features, which include a naphtho[1,2-d]thiazolium core and multiple sulfopropyl groups. This compound exhibits properties typical of ionic salts, including solubility in polar solvents due to its ionic nature. It is likely to have applications in fields such as organic electronics, photochemistry, or as a dye, given the presence of conjugated systems that can absorb light. The presence of the thiazolium moiety suggests potential reactivity in various chemical transformations, while the sulfopropyl groups may enhance solubility and stability in aqueous environments. Additionally, the compound's interaction with N,N-diethylethanamine indicates a potential for forming stable complexes, which could be relevant in various chemical and biological applications. Overall, this compound represents a fascinating example of synthetic organic chemistry with potential utility in advanced materials science.

Formula: C₃₃H₃₂N₂O₆S₄·C₆H₁₅N

InChI: InChI=1S/C33H32N2O6S4.C6H15N/c1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;1-4-7(5-2)6-3/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3

InChI key: InChIKey=IRGJPQDDBXQCAP-UHFFFAOYSA-N

SMILES: C(CCS(=O)(=O)O)N1C=2C=3C(C=CC2SC1=CC(=CC4=[N+](CCCS(=O)(=O)[O-])C5=C(S4)C=CC=6C5=CC=CC6)CC)=CC=CC3.N(CC)(CC)CC

Synonyms:

• 1-(3-Sulfopropyl)-2-(2-{[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl}-1-butenyl)naphtho[1,2-d]thiazoliumhydroxide inner salt, triethylammonium salt
• 3,3-Bis(3-sulfopropyl)-4,5:4,5-dibenzo-9-ethylthiacarbocyanine betaine triethylammonium salt
• 3-[2-(2-{[1-(3-sulfopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}butylidene)naphtho[1,2-d][1,3]thiazol-1(2H)-yl]propane-1-sulfonate - N,N-diethylethanamine (1:1)
• Ethanamine, N,N-diethyl-, compd. with 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium hydroxide inner salt (1:1)
• Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-buten-1-yl]-, inner salt, compd. with N,N-diethylethanamine (1:1)
• Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-butenyl]-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
• Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-butenyl]-, inner salt, compd. with N,N-diethylethanamine (1:1)
• Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazolin-2-ylidene]methyl]-1-butenyl]-, hydroxide, inner salt, compd. with triethylamine (1:1)
• Triethylamine, compd. with 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazolin-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium hydroxide, inner salt (1:1)

1-(3-Sulfopropyl)-2-(2-{[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl}-1-butenyl)naphtho[1,2-d]thiazoliumhydroxide inner salt, triethylammonium salt

CAS: 23216-67-3

Formula: C₃₉H₄₆N₃O₆S₄

Molecular weight: 782.07

Ref: 7W-GT4034