Dibenzocyanin 45
(2Z)-1-ethyl-2-[(2E,4E,6E)-7-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e][1,3]benzothiazole iodide
Also Known As: Dibenzocyanin 45|DDTTC|3-cyclohexylpropionic acid methyl ester|1-Ethyl-2-[(1E,3Z,5E,7Z)-7-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)hepta-1,3,5-trien-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide|(2Z)-1-ethyl-2-[(2E,4Z,6E)-7-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e][1,3]benzothiazole,iodide
CAS: 20682-18-2
| Molecular Formula | C33H29IN2S2 |
|---|---|
| Molecular Weight | 644.08167 g/mol |
| LogP | 6.1183 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 644.08167 |
| Monoisotopic Mass | 644.08167 |
| Heavy Atoms | 38 |
| Complexity | 1742.9551 |
Chemical Identifiers
| CAS Number | 20682-18-2 |
|---|---|
| SMILES | CCN1/C(=C/C=C/C=C/C=C/C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/SC5=C1C6=CC=CC=C6C=C5.[I-] |
Product Overview
Dibenzocyanin 45 (CAS 20682-18-2), with molecular formula C33H29IN2S2 and molecular weight 644.08167 g/mol. IUPAC: (2Z)-1-ethyl-2-[(2E,4E,6E)-7-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e][1,3]benzothiazole iodide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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