3-[2-(2-phenylethenyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Chemical Structure Depiction of
3-[2-(2-phenylethenyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
3-[2-(2-phenylethenyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0768 |
| Compound Name: | 3-[2-(2-phenylethenyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate |
| Molecular Weight: | 359.46 |
| Molecular Formula: | C18 H17 N O3 S2 |
| Smiles: | C(C[n+]1c2ccccc2sc1/C=C/c1ccccc1)CS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7846 |
| logD: | 2.7846 |
| logSw: | -3.063 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.046 |
| InChI Key: | SGWJFRMAHLCKKC-UHFFFAOYSA-N |