3,3'-Diethyl-9-methylthiacarbocyanine iodide
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole iodide
Also Known As: 3,3'-Diethyl-9-methylthiacarbocyanine iodide, 3,3'-DIETHYL-9-METHYLTHIACARBOCYANINEIODIDE, (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide, 3-Ethyl-2-(3-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl)benzo[d]thiazol-3-ium iodide, 3-ethyl-2-[(1E)-3-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide, 3-Ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide, 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole;iodide, Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1), Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, iodide
| Molecular Formula | C22H23IN2S2 |
|---|---|
| Molecular Weight | 506.03473 g/mol |
| LogP | 3.09 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.03473 |
| Heavy Atoms | 27 |
| Complexity | 1020 |
Chemical Identifiers
| CAS Number | 3065-79-0 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)C.[I-] |
Product Overview
3,3'-Diethyl-9-methylthiacarbocyanine iodide (CAS 3065-79-0), with molecular formula C22H23IN2S2 and molecular weight 506.03473 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole iodide.
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