| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LVC1ZV6X4U |
| EPA CompTox | DTXSID6065923 |
Structure
| InChI Key | VGRVKVGGUPOCMT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N1S1 |
| Molecular Weight | 127.05 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15679-12-6 |
| NORMAN SUSDAT | |
| FDA SRS | LVC1ZV6X4U |
| PubChem | 27440 |
| ChemSpider | 25534.0 |
CONTENTS
