Ethyl-stains-all
1-ethyl-2-[2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole bromide
Also Known As: Ethyl-stains-all|triethyl-carbocyanin DBTC|(2E)-1-ethyl-2-[(2E)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole;bromide|1-Ethyl-2-(2-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)naphtho(1,2-d)thiazolium bromide|1-Ethyl-2-{2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium bromide|221-195-0|4,5,4',5'-dibenzo-3,3'-9-triethylthiacarbocyanine bromide1-ethyl-2-(3-(1-ethylnaphtho(1,2d)thiazolin-2-ylidene)-2-ethylpropenyl)naphtho(1,2D)thiazolium|Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, bromide (1:1)
| Molecular Formula | C31H29BrN2S2 |
|---|---|
| Molecular Weight | 572.0955 g/mol |
| LogP | 5.7861 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 572.0955 |
| Monoisotopic Mass | 572.0955 |
| Heavy Atoms | 36 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 3028-94-2 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC)C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CC.[Br-] |
| InChIKey | GTUGFHRXJPVYKM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-stains-all (CAS 3028-94-2), with molecular formula C31H29BrN2S2 and molecular weight 572.0955 g/mol. IUPAC: 1-ethyl-2-[2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole bromide.
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