HuagongsheHuagongshe Chemistry Print Report · For research reference only
Thien-2-yl-hydroxyacetonitrile
Identifiers & Physical Properties
| Molecular formula | C6H5NOS |
|---|---|
| Average molar mass | 139.18 g/mol |
| SMILES | N#CC(O)c1cccs1 |
| InChIKey | MDOLBFYWOIYESI-UHFFFAOYSA-N |
| PubChem CID | 11469116 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 72.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 139 |