3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid
3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 4075-3525 |
| Compound Name: | 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylic acid |
| Molecular Weight: | 285.77 |
| Molecular Formula: | C11 H8 Cl N O2 S2 |
| Smiles: | CC1=C(C(O)=O)SC(N1c1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 2.6804 |
| logD: | -2.4136 |
| logSw: | -3.1319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.9557 |
| InChI Key: | IAQINBZWTJNCJO-UHFFFAOYSA-N |