| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U0W0KQ1EET |
| EPA CompTox | DTXSID60928296 |
Structure
| InChI Key | IOOPSZCABYNBDZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O2S1 |
| Molecular Weight | 156.02 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 133860-42-1 |
| NORMAN SUSDAT | |
| FDA SRS | U0W0KQ1EET |
CONTENTS
