HuagongsheHuagongshe Chemistry Print Report · For research reference only
methyl N'-(3-methoxyphenyl)carbamimidothioate
Identifiers & Physical Properties
| CAS No. | 35576-47-7 |
|---|---|
| Molecular formula | C9H12N2OS |
| Average molar mass | 196.27 g/mol |
| Monoisotopic mass | 196.06703418 g/mol |
| SMILES | COc1cccc(N=C(N)SC)c1 |
| InChIKey | RFRZSJKDZDTYBB-UHFFFAOYSA-N |
| PubChem CID | 3781069 |
| DTXSID | DTXSID40396333 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 72.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 184 |