HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Methyl-3-(4-cyano-3-isopropoxy-5-isothiazolyl)urea
Identifiers & Physical Properties
| Molecular formula | C9H12N4O2S |
|---|---|
| Average molar mass | 240.28 g/mol |
| SMILES | CNC(=O)Nc1snc(OC(C)C)c1C#N |
| InChIKey | SPWLMJHKBNJHGB-UHFFFAOYSA-N |
| PubChem CID | 21396813 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 115 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 301 |