LX7
Summary
| Name: | 1-[4-(trifluoromethyloxy)phenyl]thiourea |
| Formula: | C8 H7 F3 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 236.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[4-(trifluoromethyloxy)phenyl]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15) |
| InChIKey | InChI | 1.03 | UCOXNOVULREFCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)Nc1ccc(OC(F)(F)F)cc1 |
| SMILES | CACTVS | 3.385 | NC(=S)Nc1ccc(OC(F)(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=S)N)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=S)N)OC(F)(F)F |
