sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0456-0038 |
| Compound Name: | sodium--3-[5-methoxy-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 395.49 |
| Molecular Formula: | C15 H18 N O4 S3 |
| Salt: | Na+ |
| Smiles: | CCC(/C=C1/N(CCCS([O-])(=O)=O)c2cc(ccc2S1)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 2.32 |
| logD: | 2.32 |
| logSw: | -2.6176 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.504 |
| InChI Key: | XCCQFFXWHDHDCN-GDNBJRDFSA-M |