3-[2-(3-ethyl-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-(3-ethyl-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-(3-ethyl-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: | 2324-0448 |
| Compound Name: | 3-[2-(3-ethyl-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: | 517.75 |
| Molecular Formula: | C15 H16 N2 O4 S4 |
| Salt: | (C2H5)3N |
| Smiles: | CCN1C(\C(=C2/N(CCCS(O)(=O)=O)c3ccccc3S2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4179 |
| logD: | -8.0084 |
| logSw: | -2.1363 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.885 |
| InChI Key: | ZHNBFYMZDUSWSL-OWBHPGMISA-N |