methyl [(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate
methyl [(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8007-8529 |
| Compound Name: | methyl [(4-methyl-3,5-dinitrophenyl)sulfanyl]acetate |
| Molecular Weight: | 286.26 |
| Molecular Formula: | C10 H10 N2 O6 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)SCC(=O)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0971 |
| logD: | 2.0971 |
| logSw: | -2.2371 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.979 |
| InChI Key: | ZQYNCFJWJOJDRQ-UHFFFAOYSA-N |