methyl [(2-cyano-5-nitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(2-cyano-5-nitrophenyl)sulfanyl]acetate
methyl [(2-cyano-5-nitrophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8010-7785 |
| Compound Name: | methyl [(2-cyano-5-nitrophenyl)sulfanyl]acetate |
| Molecular Weight: | 252.25 |
| Molecular Formula: | C10 H8 N2 O4 S |
| Smiles: | COC(CSc1cc(ccc1C#N)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7534 |
| logD: | 1.7534 |
| logSw: | -2.584 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.255 |
| InChI Key: | XQPVETYFNJPVRM-UHFFFAOYSA-N |