A1AYD
Summary
| Name: | N-(2,4-difluorophenyl)-N'-methylthiourea |
| Formula: | C8 H8 F2 N2 S |
| Formal charge: | 0 |
| Formula weight: | 202.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,4-difluorophenyl)-N'-methylthiourea |
| OpenEye OEToolkits | 2.0.7 | 1-[2,4-bis(fluoranyl)phenyl]-3-methyl-thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(Nc1ccc(F)cc1F)NC |
| InChI | InChI | 1.06 | InChI=1S/C8H8F2N2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13) |
| InChIKey | InChI | 1.06 | KZSZGGVUSFIQIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=S)Nc1ccc(F)cc1F |
| SMILES | CACTVS | 3.385 | CNC(=S)Nc1ccc(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=S)Nc1ccc(cc1F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=S)Nc1ccc(cc1F)F |
