| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:46 UTC |
|---|
| Update Date | 2025-03-25 00:59:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239566 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10F3NS |
|---|
| Molecular Mass | 245.0486 |
|---|
| SMILES | N#Cc1ccccc1SCCCC(F)(F)F |
|---|
| InChI Key | CCIMEPOFLSVHNC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | thiophenols |
|---|
| Subclass | thiophenols |
|---|
| Direct Parent | thiophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalkylarylthioethersbenzonitrileshydrocarbon derivativesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiophenol ethers |
|---|
| Substituents | monocyclic benzene moietynitrilesulfenyl compoundalkyl fluorideorganofluoridealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherbenzonitrilearomatic homomonocyclic compoundthiophenolthioetherthiophenol etherorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
|---|
