6-Ethoxy-2-[5-(6-ethoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3-methyl-1,3-benzothiazol-3-ium iodide
6-ethoxy-2-[5-(6-ethoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole iodide
Also Known As: 6-Ethoxy-2-[5-(6-ethoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3-methyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C25H27IN2O2S2 |
|---|---|
| Molecular Weight | 578.05585 g/mol |
| LogP | 3.18 |
| Topological Polar Surface Area | 25.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.05585 |
| Heavy Atoms | 32 |
| Complexity | 1184 |
Chemical Identifiers
| CAS Number | 17578-97-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)OCC)C)S2)C.[I-] |
Product Overview
6-Ethoxy-2-[5-(6-ethoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3-methyl-1,3-benzothiazol-3-ium iodide (CAS 17578-97-1), with molecular formula C25H27IN2O2S2 and molecular weight 578.05585 g/mol. IUPAC: 6-ethoxy-2-[5-(6-ethoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-methyl-1,3-benzothiazole iodide.
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