methyl {[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetate
methyl {[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y504-8949 |
| Compound Name: | methyl {[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetate |
| Molecular Weight: | 245.25 |
| Molecular Formula: | C8 H11 N3 O4 S |
| Smiles: | Cc1cc(nn1CSCC(=O)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5709 |
| logD: | 0.5709 |
| logSw: | -1.4825 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.991 |
| InChI Key: | KSBQGRNBTXUWIB-UHFFFAOYSA-N |