A1COO
Summary
| Name: | 4-fluorobenzene-1-carbothioamide |
| Formula: | C7 H6 F N S |
| Formal charge: | 0 |
| Formula weight: | 155.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-fluorobenzene-1-carbothioamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-fluoranylbenzenecarbothioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(N)c1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | InChI | 1.06 | VQFOHZWOKJQOGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | NC(=S)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C(=S)N)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C(=S)N)F |
