3-[2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid
Chemical Structure Depiction of
3-[2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid
3-[2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid
Compound characteristics
| Compound ID: | 4311-1704 |
| Compound Name: | 3-[2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid |
| Molecular Weight: | 565.79 |
| Molecular Formula: | C19 H16 N2 O4 S4 |
| Salt: | (C2H5)3N |
| Smiles: | C(CN1/C(=C2/C(N(C(=S)S2)c2ccccc2)=O)Sc2ccccc12)CS(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1227 |
| logD: | -7.3036 |
| logSw: | -2.4899 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.277 |
| InChI Key: | UIJPWAAHRCPQHN-UHFFFAOYSA-N |