3,3'-Diethylthiacarbocyanine iodide
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
Also Known As: 3,3'-Diethylthiacarbocyanine iodide, C3-Thiacyanine Dye, thiacarbocyanine iodide, THIAZOLE PURPLE, LG7AT8S84N, CTK5A6868, CTK8F4769, NK-76, NK-180, 3,3-Diethylthiacarbocyanine (iodide), 3,3'-Diethyl-2,2'-thiacarbocyanine iodide, 3,3'-Diethyltrimethinethiacyanine iodide, 3,3-DIETHYLTHIACARBOCYANINE IODIDE, 3,3'-Diethylthiacarbocyanine Iodide, 98%, 3,3'-DIETHYLTHIA-CARBOCYANINE IODIDE
| Molecular Formula | C21H21IN2S2 |
|---|---|
| Molecular Weight | 492.0191 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.0191 |
| Heavy Atoms | 26 |
| Complexity | 975 |
Chemical Identifiers
| CAS Number | 905-97-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-] |
Product Overview
3,3'-Diethylthiacarbocyanine iodide (CAS 905-97-5), with molecular formula C21H21IN2S2 and molecular weight 492.0191 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide.
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