3-{2-[(3-ethyl-5,6-dimethylthieno[2,3-d][1,3]thiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(3-ethyl-5,6-dimethylthieno[2,3-d][1,3]thiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
3-{2-[(3-ethyl-5,6-dimethylthieno[2,3-d][1,3]thiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0830 |
| Compound Name: | 3-{2-[(3-ethyl-5,6-dimethylthieno[2,3-d][1,3]thiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate |
| Molecular Weight: | 466.66 |
| Molecular Formula: | C20 H22 N2 O3 S4 |
| Smiles: | CCN1/C(=C/c2[n+](CCCS([O-])(=O)=O)c3ccccc3s2)Sc2c(C)c(C)sc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0148 |
| logD: | 4.0148 |
| logSw: | -3.9605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.907 |
| InChI Key: | MDSWWEHTHHQBET-UHFFFAOYSA-N |