| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GI41CBY895 |
| EPA CompTox | DTXSID80175821 |
Structure
| InChI Key | UTUUGODMVOQPEQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N1O1S2 |
| Molecular Weight | 189.03 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.31 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21494-64-4 |
| NORMAN SUSDAT | |
| FDA SRS | GI41CBY895 |
| PubChem | 88926 |
| ChemSpider | 80241.0 |
CONTENTS
