A1AYM
Summary
| Name: | N-(3-chloro-4-fluorophenyl)thiourea |
| Formula: | C7 H6 Cl F N2 S |
| Formal charge: | 0 |
| Formula weight: | 204.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chloro-4-fluorophenyl)thiourea |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chloranyl-4-fluoranyl-phenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(NC(N)=S)cc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C7H6ClFN2S/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12) |
| InChIKey | InChI | 1.06 | OVJVZVPEMXLKOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)Nc1ccc(F)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | NC(=S)Nc1ccc(F)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=S)N)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=S)N)Cl)F |
