1-{[(2,5-dichlorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-{[(2,5-dichlorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylic acid
1-{[(2,5-dichlorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y509-5218 |
| Compound Name: | 1-{[(2,5-dichlorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 303.16 |
| Molecular Formula: | C11 H8 Cl2 N2 O2 S |
| Smiles: | C(n1ccc(C(O)=O)n1)Sc1cc(ccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6116 |
| logD: | -0.58 |
| logSw: | -2.9394 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.164 |
| InChI Key: | NEHNOEMDKHXERX-UHFFFAOYSA-N |