2-methyl-1-[(3-methylphenyl)sulfanyl]-3,5-dinitrobenzene
Chemical Structure Depiction of
2-methyl-1-[(3-methylphenyl)sulfanyl]-3,5-dinitrobenzene
2-methyl-1-[(3-methylphenyl)sulfanyl]-3,5-dinitrobenzene
Compound characteristics
| Compound ID: | 8012-4197 |
| Compound Name: | 2-methyl-1-[(3-methylphenyl)sulfanyl]-3,5-dinitrobenzene |
| Molecular Weight: | 304.32 |
| Molecular Formula: | C14 H12 N2 O4 S |
| Smiles: | Cc1cccc(c1)Sc1cc(cc(c1C)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4786 |
| logD: | 4.4786 |
| logSw: | -4.4632 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.429 |
| InChI Key: | WTWKEQGWRCYOOG-UHFFFAOYSA-N |