{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | Y507-0974 |
| Compound Name: | {[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid |
| Molecular Weight: | 234.7 |
| Molecular Formula: | C8 H11 Cl N2 O2 S |
| Smiles: | Cc1c(c(C)n(CSCC(O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.0257 |
| logD: | -2.4651 |
| logSw: | -2.3417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.304 |
| InChI Key: | KLEFKPOMCOXBCL-UHFFFAOYSA-N |