HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-[[3-(N,N-dimethylamino)-phenyloxy]methyl]-1,2-dithiin
![6-[[3-(N,N-dimethylamino)-phenyloxy]methyl]-1,2-dithiin molecular structure](/img/chemical/86751069.png)
Identifiers & Physical Properties
| Molecular formula | C13H15NOS2 |
|---|---|
| Average molar mass | 265.4 g/mol |
| SMILES | CN(C)c1cccc(OCC2=CC=CSS2)c1 |
| InChIKey | MVRYVTVQCIQRPZ-UHFFFAOYSA-N |
| PubChem CID | 86751069 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 63.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 302 |