methyl {[(4-nitrophenyl)methyl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[(4-nitrophenyl)methyl]sulfanyl}acetate
methyl {[(4-nitrophenyl)methyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8005-4410 |
| Compound Name: | methyl {[(4-nitrophenyl)methyl]sulfanyl}acetate |
| Molecular Weight: | 241.26 |
| Molecular Formula: | C10 H11 N O4 S |
| Smiles: | COC(CSCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1121 |
| logD: | 2.1121 |
| logSw: | -2.4393 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.199 |
| InChI Key: | DLZYIQFDUZINCM-UHFFFAOYSA-N |