Exciton
4-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline perchlorate
Also Known As: Exciton|Lds-751|7785-EP2270895A2|7785-EP2278637A1|7785-EP2292586A2|7785-EP2295421A1|7785-EP2298774A1|7785-EP2299785A1|7785-EP2301921A1|7785-EP2306788A1|7785-EP2306789A1|7785-EP2311826A2|7785-EP2316905A1|7785-EP2316906A2|7785-EP2371810A1|7785-EP2371812A1|7785-EP2372804A1|7785-EP2378585A1|4-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline;perchlorate|2-[4-(4-[dimethylamino]phenyl)-1,3-butadienyl]-3-ethylbenzo-thiazolium perchlorate
| Molecular Formula | C21H23ClN2O4S |
|---|---|
| Molecular Weight | 434.10672 g/mol |
| LogP | 0.2453 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.10672 |
| Monoisotopic Mass | 434.10672 |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 76433-29-9 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=CC=CC3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O |
| InChIKey | FWTLKTVVDHEQMM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exciton (CAS 76433-29-9), with molecular formula C21H23ClN2O4S and molecular weight 434.10672 g/mol. IUPAC: 4-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline perchlorate.
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