1-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3743-0004 |
| Compound Name: | 1-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 247.32 |
| Molecular Formula: | C12 H13 N3 O S |
| Smiles: | Cc1ccc(cc1C)C(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0873 |
| logD: | 1.722 |
| logSw: | -2.6447 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.639 |
| InChI Key: | YVDYHAJIRUTIMK-UHFFFAOYSA-N |