4-bromo-N-[(oxolan-2-yl)methyl]benzene-1-carbothioamide
Chemical Structure Depiction of
4-bromo-N-[(oxolan-2-yl)methyl]benzene-1-carbothioamide
4-bromo-N-[(oxolan-2-yl)methyl]benzene-1-carbothioamide
Compound characteristics
| Compound ID: | 8017-0692 |
| Compound Name: | 4-bromo-N-[(oxolan-2-yl)methyl]benzene-1-carbothioamide |
| Molecular Weight: | 300.21 |
| Molecular Formula: | C12 H14 Br N O S |
| Smiles: | C1CC(CNC(c2ccc(cc2)[Br])=S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0681 |
| logD: | 3.068 |
| logSw: | -3.2348 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6965 |
| InChI Key: | QESDPCWVJNMVIK-LLVKDONJSA-N |