HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-{[(3,4-Dimethoxyphenyl)sulfanyl]methyl}benzamide
![N-{[(3,4-Dimethoxyphenyl)sulfanyl]methyl}benzamide molecular structure](/img/chemical/12370167.png)
Identifiers & Physical Properties
| CAS No. | 33858-93-4 |
|---|---|
| Molecular formula | C16H17NO3S |
| Average molar mass | 303.4 g/mol |
| Monoisotopic mass | 303.09291458 g/mol |
| SMILES | COc1ccc(SCNC(=O)c2ccccc2)cc1OC |
| InChIKey | AXTHKYDEEKHLLA-UHFFFAOYSA-N |
| PubChem CID | 12370167 |
| DTXSID | DTXSID10494774 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 72.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 321 |