3-{6-methoxy-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{6-methoxy-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
3-{6-methoxy-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0054 |
| Compound Name: | 3-{6-methoxy-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C20 H20 N2 O4 S3 |
| Smiles: | C[n+]1c2ccccc2sc1/C=C1/N(CCCS([O-])(=O)=O)c2ccc(cc2S1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0022 |
| logD: | 3.0022 |
| logSw: | -3.4319 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.084 |
| InChI Key: | JACYXFSUIZJONR-UHFFFAOYSA-N |