| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KH3W3161HS |
| EPA CompTox | DTXSID8047474 |
Structure
| InChI Key | PGTWZHXOSWQKCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18S2 |
| Molecular Weight | 178.08 |
| AlogP | 3.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1191-62-4 |
| NORMAN SUSDAT | |
| FDA SRS | KH3W3161HS |
| PubChem | 14493 |
| ChemSpider | 13838.0 |
CONTENTS
