| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20197002 |
| InChI Key | XRKGCGRPZUUQRR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H18N2S2 |
| Molecular Weight | 290.09 |
| AlogP | 3.89 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 52.04 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 47003-30-5 |
| NORMAN SUSDAT | |
| PubChem | 6452074 |
| ChemSpider | 4954516.0 |