HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[5-(1,3-Benzodithiol-2-yl)-2-thienyl]-1,3-benzodithiole
2-[5-(1,3-benzodithiol-2-yl)-2-thienyl]-1,3-benzodithiole
![2-[5-(1,3-Benzodithiol-2-yl)-2-thienyl]-1,3-benzodithiole molecular structure](/img/chemical/178819869.png)
Identifiers & Physical Properties
| CAS No. | 101683-27-6 |
|---|---|
| Molecular formula | C18H12S5 |
| Average molar mass | 388.6 g/mol |
| SMILES | c1ccc2c(c1)SC(c1ccc(C3Sc4ccccc4S3)s1)S2 |
| InChIKey | UZBDTXFYUALLJG-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6.5 |
|---|---|
| Topological polar surface area | 129 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 364 |