A1COQ
Summary
| Name: | 2,4-difluorobenzene-1-carbothioamide |
| Formula: | C7 H5 F2 N S |
| Formal charge: | 0 |
| Formula weight: | 173.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2,4-difluorobenzene-1-carbothioamide |
| OpenEye OEToolkits | 3.1.0.0 | 2,4-bis(fluoranyl)benzenecarbothioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(N)c1ccc(F)cc1F |
| InChI | InChI | 1.06 | InChI=1S/C7H5F2NS/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11) |
| InChIKey | InChI | 1.06 | MOHAZBCWHUCIEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)c1ccc(F)cc1F |
| SMILES | CACTVS | 3.385 | NC(=S)c1ccc(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1F)F)C(=S)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1F)F)C(=S)N |
