N-benzyl-4-bromo-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
N-benzyl-4-bromo-1H-pyrazole-1-carbothioamide
N-benzyl-4-bromo-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | Y500-4122 |
| Compound Name: | N-benzyl-4-bromo-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 296.19 |
| Molecular Formula: | C11 H10 Br N3 S |
| Smiles: | C(c1ccccc1)NC(n1cc(cn1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 2.56 |
| logD: | 2.5599 |
| logSw: | -2.4534 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.364 |
| InChI Key: | BSQMLCRIGCICBR-UHFFFAOYSA-N |