| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T658L4YWD8 |
| EPA CompTox | DTXSID00185684 |
Structure
| InChI Key | BTQNSLFPJKRBQK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O1S2 |
| Molecular Weight | 152.03 |
| AlogP | 1.07 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31805-83-1 |
| NORMAN SUSDAT | |
| FDA SRS | T658L4YWD8 |
| PubChem | 99550 |
| ChemSpider | 89937.0 |
CONTENTS
