3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 1118-0004 |
| Compound Name: | 3-(2-methylthieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 327.44 |
| Molecular Formula: | C13 H13 N O3 S3 |
| Smiles: | Cc1[n+](CCCS([O-])(=O)=O)c2c3ccsc3ccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.6042 |
| logD: | 1.6042 |
| logSw: | -2.1069 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.33 |
| InChI Key: | KCQGNKZNFMTJEQ-UHFFFAOYSA-N |