| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2UY42MB6UX |
| EPA CompTox | DTXSID10202119 |
Structure
| InChI Key | DHHZMMARLMPOOK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13N1S2 |
| Molecular Weight | 163.05 |
| AlogP | 2.44 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53859-67-9 |
| NORMAN SUSDAT | |
| FDA SRS | 2UY42MB6UX |
| PubChem | 3034736 |
| ChemSpider | 2299149.0 |
CONTENTS
