HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Methyl-s-triazolo(3,4-b)benzothiazole p-toluenesulfonate
Identifiers & Physical Properties
| Molecular formula | C16H15N3O3S2 |
|---|---|
| Average molar mass | 361.4 g/mol |
| Monoisotopic mass | 361.0554837 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)O)cc1.Cc1nnc2sc3ccccc3n12 |
| InChIKey | YOTCBOSEXYGVKW-UHFFFAOYSA-N |
| PubChem CID | 21392829 |
Chemical & Physical Properties
| Topological polar surface area | 121 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 417 |