3-{6-chloro-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-chloro-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
3-{6-chloro-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 6253-0513 |
| Compound Name: | 3-{6-chloro-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 453 |
| Molecular Formula: | C19 H17 Cl N2 O3 S3 |
| Smiles: | C[n+]1c2ccccc2sc1/C=C1/N(CCCS([O-])(=O)=O)c2ccc(cc2S1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4611 |
| logD: | 3.4611 |
| logSw: | -3.7027 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.541 |
| InChI Key: | MIVHXVQPUBKLFA-UHFFFAOYSA-N |