3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide
3-ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide
Also Known As: 3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C25H27IN2S2 |
|---|---|
| Molecular Weight | 546.06604 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.06604 |
| Heavy Atoms | 30 |
| Complexity | 1141 |
Chemical Identifiers
| CAS Number | 10258-80-7 |
|---|---|
| SMILES | CCN1C2=CC=CC(=C2SC1=CC=CC=CC3=[N+](C4=CC=CC(=C4S3)C)CC)C.[I-] |
Product Overview
3-Ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-7-methyl-1,3-benzothiazol-3-ium iodide (CAS 10258-80-7), with molecular formula C25H27IN2S2 and molecular weight 546.06604 g/mol. IUPAC: 3-ethyl-2-[5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide.
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