S-(4,6-dimethylpyrimidin-2-yl) 4-methylbenzene-1-carbothioate
Chemical Structure Depiction of
S-(4,6-dimethylpyrimidin-2-yl) 4-methylbenzene-1-carbothioate
S-(4,6-dimethylpyrimidin-2-yl) 4-methylbenzene-1-carbothioate
Compound characteristics
| Compound ID: | 2001-0015 |
| Compound Name: | S-(4,6-dimethylpyrimidin-2-yl) 4-methylbenzene-1-carbothioate |
| Molecular Weight: | 258.34 |
| Molecular Formula: | C14 H14 N2 O S |
| Smiles: | Cc1ccc(cc1)C(=O)Sc1nc(C)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6155 |
| logD: | 3.6155 |
| logSw: | -3.6615 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.1448 |
| InChI Key: | XZWKBEZMRHDAAF-UHFFFAOYSA-N |