sodium--3-[5-methyl-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
sodium--3-[5-methyl-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
sodium--3-[5-methyl-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 2421-1057 |
| Compound Name: | sodium--3-[5-methyl-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 379.49 |
| Molecular Formula: | C15 H18 N O3 S3 |
| Salt: | Na+ |
| Smiles: | CCC(/C=C1/N(CCCS([O-])(=O)=O)c2cc(C)ccc2S1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.4641 |
| logD: | 2.464 |
| logSw: | -2.5298 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.961 |
| InChI Key: | JUGWSQUFWGNGRS-GDNBJRDFSA-M |