| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70194667 |
Structure
| InChI Key | XPFPXZRKIRAJDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H34O2S2 |
| Molecular Weight | 322.2 |
| AlogP | 4.34 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 17.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 41891-96-7 |
| NORMAN SUSDAT | |
| PubChem | 6451796 |
| ChemSpider | 4954249.0 |
CONTENTS
