2-[(3-ethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid
Chemical Structure Depiction of
2-[(3-ethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid
2-[(3-ethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y505-3281 |
| Compound Name: | 2-[(3-ethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid |
| Molecular Weight: | 279.38 |
| Molecular Formula: | C13 H13 N O2 S2 |
| Smiles: | CCN1C=C(Cc2ccccc2C(O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.1688 |
| logD: | -0.4606 |
| logSw: | -3.2882 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.922 |
| InChI Key: | BWAQICYXLHVNNW-UHFFFAOYSA-N |