sodium--3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
sodium--3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
sodium--3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 2421-1081 |
| Compound Name: | sodium--3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 385.88 |
| Molecular Formula: | C13 H13 Cl N O3 S3 |
| Salt: | Na+ |
| Smiles: | CC(/C=C1/N(CCCS([O-])(=O)=O)c2cc(ccc2S1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 2.1911 |
| logD: | 2.1911 |
| logSw: | -2.7621 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.961 |
| InChI Key: | VFBVESVFBNWFFS-QPEQYQDCSA-M |