| Synonyms | |
| Molecule Category | Free-form |
| UNII | 2S7C3GA0Z5 |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | WXYAXKKXIGHXDS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H13NS |
| Molecular Weight | 143.25 |
| AlogP | 3.25 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 44.45 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4404-45-9 |
| ChEMBL | CHEMBL298717 |
| FDA SRS | 2S7C3GA0Z5 |
| PubChem | 78120 |
| SureChEMBL | SCHEMBL331230 |
| ZINC | ZINC02146665 |
CONTENTS
