| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J3YYF867DV |
| EPA CompTox | DTXSID60198472 |
Structure
| InChI Key | XYJUOQPINFXBEZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8Cl1N1S2 |
| Molecular Weight | 228.98 |
| AlogP | 4.07 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50435-25-1 |
| NORMAN SUSDAT | |
| FDA SRS | J3YYF867DV |
| PubChem | 65440 |
CONTENTS
