2XG
Summary
| Name: | 3,4-difluorobenzenethiol |
| Formula: | C6 H4 F2 S |
| Formal charge: | 0 |
| Formula weight: | 146.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-difluorobenzenethiol |
| OpenEye OEToolkits | 1.7.6 | 3,4-bis(fluoranyl)benzenethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(S)cc1F |
| InChI | InChI | 1.03 | InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H |
| InChIKey | InChI | 1.03 | BGVRHDQMTMPAEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(S)cc1F |
| SMILES | CACTVS | 3.385 | Fc1ccc(S)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1S)F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1S)F)F |
