methyl [(3,5-dinitropyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3,5-dinitropyridin-2-yl)sulfanyl]acetate
methyl [(3,5-dinitropyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | S400-0015 |
| Compound Name: | methyl [(3,5-dinitropyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 273.22 |
| Molecular Formula: | C8 H7 N3 O6 S |
| Smiles: | COC(CSc1c(cc(cn1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1222 |
| logD: | 1.1222 |
| logSw: | -2.1284 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.548 |
| InChI Key: | KMEWXMPHQIPVOI-UHFFFAOYSA-N |