HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Allyl-5-benzyl-2-thiohydantoin
Identifiers & Physical Properties
| Molecular formula | C13H14N2OS |
|---|---|
| Average molar mass | 246.33 g/mol |
| Monoisotopic mass | 246.08268425 g/mol |
| SMILES | C=CCN1C(=O)C(Cc2ccccc2)NC1=S |
| InChIKey | RAXMHIGASBNFRN-UHFFFAOYSA-N |
| PubChem CID | 3144192 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 64.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 323 |