| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J97T96YFJ3 |
| EPA CompTox | DTXSID90221883 |
Structure
| InChI Key | BOWIFWCBNWWZOG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6O1S1 |
| Molecular Weight | 114.01 |
| AlogP | 1.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71637-34-8 |
| NORMAN SUSDAT | |
| FDA SRS | J97T96YFJ3 |
| PubChem | 123570 |
| ChemSpider | 62674.0 |
CONTENTS
