{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | Y507-0898 |
| Compound Name: | {[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}acetic acid |
| Molecular Weight: | 251.1 |
| Molecular Formula: | C6 H7 Br N2 O2 S |
| Smiles: | C(C(O)=O)SCn1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.8853 |
| logD: | -2.6055 |
| logSw: | -1.1899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.528 |
| InChI Key: | TXEARZLVBVQGDM-UHFFFAOYSA-N |