A1CWE
Summary
| Name: | N'-(2,4-difluorophenyl)-N,N-dimethylthiourea |
| Formula: | C9 H10 F2 N2 S |
| Formal charge: | 0 |
| Formula weight: | 216.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N'-(2,4-difluorophenyl)-N,N-dimethylthiourea |
| OpenEye OEToolkits | 3.1.0.0 | 3-[2,4-bis(fluoranyl)phenyl]-1,1-dimethyl-thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(Nc1ccc(F)cc1F)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C9H10F2N2S/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14) |
| InChIKey | InChI | 1.06 | PSWHKZXMZXDARK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=S)Nc1ccc(F)cc1F |
| SMILES | CACTVS | 3.385 | CN(C)C(=S)Nc1ccc(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(C)C(=S)Nc1ccc(cc1F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(C)C(=S)Nc1ccc(cc1F)F |
