| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | L68JIN0W7Q |
| EPA CompTox | DTXSID30210094 |
Structure
| InChI Key | YFPPCUTVJGGSQC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12O1S2 |
| Molecular Weight | 188.03 |
| AlogP | 3.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 13.14 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 61197-09-9 |
| NORMAN SUSDAT | |
| FDA SRS | L68JIN0W7Q |
| PubChem | 43579 |
| ChemSpider | 39721.0 |
CONTENTS
