HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl (4-ethoxy-3-fluorophenyl)carbamodithioate
Identifiers & Physical Properties
| CAS No. | 194923-13-2 |
|---|---|
| Molecular formula | C10H12FNOS2 |
| Average molar mass | 245.3 g/mol |
| Monoisotopic mass | 245.03443452 g/mol |
| SMILES | CCOc1ccc(NC(=S)SC)cc1F |
| InChIKey | ICTOAQZVVICEMJ-UHFFFAOYSA-N |
| PubChem CID | 19599208 |
| DTXSID | DTXSID80598950 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 78.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 216 |