2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one--hydrogen chloride (1/1)
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 0836-0003 |
| Compound Name: | 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 313.76 |
| Molecular Formula: | C12 H11 N3 O3 S |
| Salt: | HCl |
| Smiles: | Cn1ccnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8196 |
| logD: | 1.7717 |
| logSw: | -2.2814 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.514 |
| InChI Key: | BSFNPKZIDMCGOY-UHFFFAOYSA-N |