| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8LV29H49A3 |
| EPA CompTox | DTXSID60870584 |
Structure
| InChI Key | AJQLEJAVGARHGQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6OS2 |
| Molecular Weight | 169.99 |
| AlogP | 2.0 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 527-89-9 |
| NORMAN SUSDAT | |
| FDA SRS | 8LV29H49A3 |
| PubChem | 68243 |
CONTENTS
