HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 2-amino-4-benzylthiophene-3-carboxylate
Identifiers & Physical Properties
| Molecular formula | C14H15NO2S |
|---|---|
| Average molar mass | 261.34 g/mol |
| Monoisotopic mass | 261.08234989 g/mol |
| SMILES | CCOC(=O)c1c(Cc2ccccc2)csc1N |
| InChIKey | SMCBMJXZQTWTRL-UHFFFAOYSA-N |
| PubChem CID | 68831765 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 80.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 279 |