HuagongsheHuagongshe Chemistry Print Report · For research reference only
Propan-2-yl 2-isocyano-3-(thiophen-2-yl)prop-2-enoate
Identifiers & Physical Properties
| CAS No. | 76203-13-9 |
|---|---|
| Molecular formula | C11H11NO2S |
| Average molar mass | 221.28 g/mol |
| Monoisotopic mass | 221.05104977 g/mol |
| SMILES | [C-]#[N+]C(=Cc1cccs1)C(=O)OC(C)C |
| InChIKey | GBZSMEBCRUGQAI-UHFFFAOYSA-N |
| PubChem CID | 71403608 |
| DTXSID | DTXSID80824504 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 58.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 314 |