HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phenyl n-(3-methoxyphenyl)thiocarbamate
Identifiers & Physical Properties
| Molecular formula | C14H13NO2S |
|---|---|
| Average molar mass | 259.33 g/mol |
| Monoisotopic mass | 259.06669983 g/mol |
| SMILES | COc1cccc(NC(=S)Oc2ccccc2)c1 |
| InChIKey | BCXPSHLKORARLY-UHFFFAOYSA-N |
| PubChem CID | 53675579 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 62.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 267 |