| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HL8X1CRR9B |
| EPA CompTox | DTXSID70170986 |
Structure
| InChI Key | DBISBKDNOKIADM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N1S1 |
| Molecular Weight | 127.05 |
| AlogP | 2.06 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18060-79-2 |
| NORMAN SUSDAT | |
| FDA SRS | HL8X1CRR9B |
CONTENTS
