sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)thieno[2,3-e][1,3]benzothiazol-1(2H)-yl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)thieno[2,3-e][1,3]benzothiazol-1(2H)-yl]propane-1-sulfonate (1/1)
sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)thieno[2,3-e][1,3]benzothiazol-1(2H)-yl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 2421-1089 |
| Compound Name: | sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)thieno[2,3-e][1,3]benzothiazol-1(2H)-yl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 451.58 |
| Molecular Formula: | C17 H18 N O4 S4 |
| Salt: | Na+ |
| Smiles: | CCC(/C=C1/N(CCCS([O-])(=O)=O)c2c(cc(c3ccsc23)OC)S1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2138 |
| logD: | 3.2138 |
| logSw: | -3.3521 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 54.495 |
| InChI Key: | MCUSHSFDXZTKOD-DHDCSXOGSA-M |