| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1IAP0CGD5S |
| EPA CompTox | DTXSID1063300 |
Structure
| InChI Key | KKYSBGWCYXYOHA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H11N1S1 |
| Molecular Weight | 105.06 |
| AlogP | 0.7 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4104-45-4 |
| NORMAN SUSDAT | |
| FDA SRS | 1IAP0CGD5S |
| PubChem | 77743 |
| ChemSpider | 70143.0 |
CONTENTS
