| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3EEZ74862L |
| EPA CompTox | DTXSID20189083 |
Structure
| InChI Key | ZHUPZVIALZHGGP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12S2 |
| Molecular Weight | 232.04 |
| AlogP | 4.53 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3561-67-9 |
| NORMAN SUSDAT | |
| FDA SRS | 3EEZ74862L |
| PubChem | 77097 |
| ChemSpider | 69543.0 |
CONTENTS
