4FH
Summary
| Name: | 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione |
| Formula: | C6 H4 F3 N O S |
| Formal charge: | 0 |
| Formula weight: | 195.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione |
| OpenEye OEToolkits | 1.7.6 | 1-oxidanyl-4-(trifluoromethyl)pyridine-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1C=C(C=CN1O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C6H4F3NOS/c7-6(8,9)4-1-2-10(11)5(12)3-4/h1-3,11H |
| InChIKey | InChI | 1.03 | LFJNCYOAHJYDNR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C=CC(=CC1=S)C(F)(F)F |
| SMILES | CACTVS | 3.385 | ON1C=CC(=CC1=S)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=S)C=C1C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=S)C=C1C(F)(F)F)O |
