| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 38A002C515 |
| EPA CompTox | DTXSID90159738 |
Structure
| InChI Key | NXGHEDHQXXXTTP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7N1O2S2 |
| Molecular Weight | 164.99 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13623-94-4 |
| NORMAN SUSDAT | |
| FDA SRS | 38A002C515 |
| PubChem | 83623 |
| ChemSpider | 7623.0 |
CONTENTS
