1-(benzylsulfanyl)-2-methyl-3,5-dinitrobenzene
Chemical Structure Depiction of
1-(benzylsulfanyl)-2-methyl-3,5-dinitrobenzene
1-(benzylsulfanyl)-2-methyl-3,5-dinitrobenzene
Compound characteristics
| Compound ID: | 8009-9167 |
| Compound Name: | 1-(benzylsulfanyl)-2-methyl-3,5-dinitrobenzene |
| Molecular Weight: | 304.32 |
| Molecular Formula: | C14 H12 N2 O4 S |
| Smiles: | Cc1c(cc(cc1SCc1ccccc1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7573 |
| logD: | 3.7573 |
| logSw: | -4.0004 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.429 |
| InChI Key: | ZDCZYVRWELMLIW-UHFFFAOYSA-N |