HuagongsheHuagongshe Chemistry Print Report · For research reference only
Purine, 6-(sec-butylthio)-
Identifiers & Physical Properties
| CAS No. | 82499-07-8 |
|---|---|
| Molecular formula | C9H12N4S |
| Average molar mass | 208.29 g/mol |
| Monoisotopic mass | 208.07826757 g/mol |
| SMILES | CCC(C)Sc1ncnc2nc[nH]c12 |
| InChIKey | YLMWMBWJGSIKKF-UHFFFAOYSA-N |
| PubChem CID | 95607 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 79.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 190 |