3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide
1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole iodide
Also Known As: CTK8H3567, 3,3-DIETHYL-4,5,4',5'-DIBENZO-THIOCARBOCYANINE IODIDE, 1-Ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide
| Molecular Formula | C29H25IN2S2 |
|---|---|
| Molecular Weight | 592.0504 g/mol |
| LogP | 5.01 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 592.0504 |
| Heavy Atoms | 34 |
| Complexity | 1582 |
Chemical Identifiers
| CAS Number | 18359-88-1 |
|---|---|
| SMILES | CCN1C(=CC=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)SC5=C1C6=CC=CC=C6C=C5.[I-] |
Product Overview
3,3-Diethyl-4,5,4',5'-dibenzo-thiocarbocyanine iodide (CAS 18359-88-1), with molecular formula C29H25IN2S2 and molecular weight 592.0504 g/mol. IUPAC: 1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole iodide.
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