HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-prop-2-enyl-2,3-dihydro-1,4-benzoxathiine-2-carboxamide

Identifiers & Physical Properties
| Molecular formula | C12H13NO2S |
|---|---|
| Average molar mass | 235.3 g/mol |
| Monoisotopic mass | 235.06669983 g/mol |
| SMILES | C=CCNC(=O)C1CSc2ccccc2O1 |
| InChIKey | VXHBQSWBNQMRGV-UHFFFAOYSA-N |
| PubChem CID | 12831705 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 63.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 270 |