4-[(3-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(3-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid
4-[(3-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y505-3276 |
| Compound Name: | 4-[(3-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)methyl]benzoic acid |
| Molecular Weight: | 265.35 |
| Molecular Formula: | C12 H11 N O2 S2 |
| Smiles: | CN1C=C(Cc2ccc(cc2)C(O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.5695 |
| logD: | -0.402 |
| logSw: | -2.5984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.912 |
| InChI Key: | XBBZXHQYBCMHML-UHFFFAOYSA-N |