{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | Y504-8771 |
| Compound Name: | {[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid |
| Molecular Weight: | 245.25 |
| Molecular Formula: | C8 H11 N3 O4 S |
| Smiles: | Cc1c(c(C)n(CSCC(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3298 |
| logD: | -3.161 |
| logSw: | -1.0321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.084 |
| InChI Key: | JIBZDJWNVMUECW-UHFFFAOYSA-N |