| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RD8ECR3X6Z |
| EPA CompTox | DTXSID60206001 |
Structure
| InChI Key | LXDHBOICPCPCKD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H32O2S1 |
| Molecular Weight | 288.21 |
| AlogP | 5.16 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57414-16-1 |
| NORMAN SUSDAT | |
| FDA SRS | RD8ECR3X6Z |
| PubChem | 93666 |
| ChemSpider | 84549.0 |
CONTENTS
