3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | 4311-1814 |
| Compound Name: | 3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 489.69 |
| Molecular Formula: | C13 H12 N2 O4 S4 |
| Salt: | (C2H5)3N |
| Smiles: | C(CN1/C(=C2\C(NC(=S)S2)=O)Sc2ccccc12)CS(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3443 |
| logD: | -9.082 |
| logSw: | -2.2129 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.346 |
| InChI Key: | JJYLSXUHDFUCGU-BENRWUELSA-N |