Description
The 2-((1E)-2-{2-chloro-3-[2-(3-ethyl(3-hydrobenzothiazol-2-ylidene))ethylidene]cyclohex-1-enyl}vinyl)-3-ethylbenzothiazole, iodide (CAS: 65303-15-3) is a highly specialized organic compound with the molecular formula C28H28ClIN2S2. This benzothiazole derivative is designed for advanced research applications, particularly in the fields of photochemistry, materials science, and organic synthesis. Its unique structure features conjugated double bonds and a benzothiazole core, making it suitable for studies involving light absorption, fluorescence, or as a precursor for functional materials. The iodide counterion enhances its solubility in polar solvents, facilitating experimental handling. Available in high purity (≥95%), this compound is ideal for researchers requiring precise and reproducible results in sensitive applications.
Properties
- CAS Number: 65303-15-3
- Complexity: 769
- IUPAC Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,3-benzothiazole;iodide
- InChI: InChI=1S/C28H28ClN2S2.HI/c1-3-30-22-12-5-7-14-24(22)32-26(30)18-16-20-10-9-11-21(28(20)29)17-19-27-31(4-2)23-13-6-8-15-25(23)33-27;/h5-8,12-19H,3-4,9-11H2,1-2H3;1H/q+1;/p-1
- InChI Key: LJPXKRASAYCACX-UHFFFAOYSA-M
- Exact Mass: 618.04272
- Molecular Formula: C28H28ClIN2S2
- Molecular Weight: 619.0
- SMILES: CCN1C2=CC=CC=C2S/C1=CC=C3/CCCC(=C3Cl)/C=C/C4=[N+](C5=CC=CC=C5S4)CC.[I-]
- Topological: 60.7
- Monoisotopic Mass: 618.04272
- Synonyms: 65303-15-3, 2-((1E)-2-{2-chloro-3-[2-(3-ethyl(3-hydrobenzothiazol-2-ylidene))ethylidene]cy clohex-1-enyl}vinyl)-3-ethylbenzothiazole, iodide, SBB059294, AKOS000814223, ST51044362, 2-(2-(2-Chloro-3-(2-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-ethylbenzo[d]thiazol-3-ium iodide
This compound is primarily used in photochemical research due to its conjugated system, which may exhibit unique light-absorption properties. It serves as a potential candidate for dye-sensitized solar cells (DSSCs) or organic semiconductors. Researchers also explore its utility in synthesizing novel heterocyclic frameworks. Its benzothiazole moiety may contribute to bioimaging or sensor development. Handle under controlled conditions due to its specialized nature.
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