1-(4-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3743-0002 |
| Compound Name: | 1-(4-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 233.29 |
| Molecular Formula: | C11 H11 N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2897 |
| logD: | 0.9244 |
| logSw: | -2.1572 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.639 |
| InChI Key: | MUVSMNVNXKMPGC-UHFFFAOYSA-N |