3-{2-[4-oxo-3-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonic acid
3-{2-[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonic acid
Compound characteristics
| Compound ID: | 4311-1815 |
| Compound Name: | 3-{2-[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonic acid |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C16 H16 N2 O4 S4 |
| Smiles: | C=CCN1C(\C(=C2/N(CCCS(O)(=O)=O)c3ccccc3S2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6038 |
| logD: | -7.8225 |
| logSw: | -2.1299 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.138 |
| InChI Key: | PTRVCICYKILIEH-UHFFFAOYSA-N |