3-{6-methyl-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-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
3-{6-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0004 |
| Compound Name: | 3-{6-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C20 H20 N2 O3 S3 |
| Smiles: | Cc1ccc2c(c1)SC(=C/c1[n+](C)c3ccccc3s1)\N2CCCS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4008 |
| logD: | 3.4008 |
| logSw: | -3.7852 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.541 |
| InChI Key: | MMOMHAFTUBHGOU-UHFFFAOYSA-N |