3-{6-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{6-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
3-{6-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 5984-0256 |
| Compound Name: | 3-{6-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 467.03 |
| Molecular Formula: | C20 H19 Cl N2 O3 S3 |
| Smiles: | CC[n+]1c2ccccc2sc1/C=C1/N(CCCS([O-])(=O)=O)c2ccc(cc2S1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0756 |
| logD: | 4.0756 |
| logSw: | -4.2329 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.455 |
| InChI Key: | ZMDPASVQZGTMIS-UHFFFAOYSA-N |