CAS 22268-66-2: 3-ethyl-2-[(1E,3E,5E,7Z)-7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium perchlorate

Description: 3-Ethyl-2-[(1E,3E,5E,7Z)-7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium perchlorate is a complex organic compound characterized by its unique structure, which includes multiple benzothiazole moieties and a perchlorate counterion. The presence of the benzothiazole groups suggests potential applications in organic electronics, photonics, or as dyes due to their conjugated systems, which can exhibit interesting optical properties. The perchlorate ion contributes to the compound's solubility in polar solvents and may influence its stability and reactivity. This compound is likely to be a cationic species, given the presence of the benzothiazolium structure, which can affect its interactions with other molecules. Additionally, the ethyl substituents may enhance its solubility and modify its electronic properties. Overall, this compound's intricate structure and functional groups suggest potential utility in various fields, including materials science and medicinal chemistry, although specific applications would depend on further research and characterization.

Formula: C₂₅H₂₅ClN₂O₄S₂

InChI: InChI=1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

InChI key: InChIKey=PZQHZVAROUTGBU-UHFFFAOYSA-M

SMILES: O=Cl(=O)(=O)[O-].S1C=2C=CC=CC2N(C1=CC=CC=CC=CC=3SC=4C=CC=CC4[N+]3CC)CC

Synonyms:

• 3,3′-Diethylthiatricarbocyanine perchlorate
• 3-Ethyl-2-[7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium perchlorate
• Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl]-, perchlorate (1:1)
• Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl]-, perchlorate
• Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-, perchlorate

3,3'-DIETHYLTHIATRICARBOCYANINE PERCHLORATE

CAS: 22268-66-2

• Formula: C₂₅H₂₅ClN₂O₄S₂
• Purity: 96%
• Molecular weight: 517.06

3-Ethyl-2-(7-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)benzo[d]thiazol-3-ium perchlorate

CAS: 22268-66-2

• Purity: 96%
• Color and Shape: Solid
• Molecular weight: 517.06

(2Z)-3-Ethyl-2-[(2E,4E,6E)-7-(3-Ethylbenzothiazol-2-Yl)Hepta-2,4,6-Trienylidene]Benzothiazole Perchlorate

CAS: 22268-66-2

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• Formula: C₂₅H₂₅N₂ClS₂O₄
• Purity: Min. 95%
• Molecular weight: 517.06 g/mol