3-{2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,6-dimethylthieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,6-dimethylthieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate
3-{2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,6-dimethylthieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0583 |
| Compound Name: | 3-{2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,6-dimethylthieno[2,3-d][1,3]thiazol-3(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 466.66 |
| Molecular Formula: | C20 H22 N2 O3 S4 |
| Smiles: | CC[n+]1c2ccccc2sc1/C=C1/N(CCCS([O-])(=O)=O)c2c(c(C)c(C)s2)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1029 |
| logD: | 4.1029 |
| logSw: | -4.0292 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.907 |
| InChI Key: | QIPNAIYLONUWSW-UHFFFAOYSA-N |