3H7
Summary
| Name: | 4,6-difluoro-1,3-benzothiazol-2-amine |
| Formula: | C7 H4 F2 N2 S |
| Formal charge: | 0 |
| Formula weight: | 186.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,6-difluoro-1,3-benzothiazol-2-amine |
| OpenEye OEToolkits | 1.9.2 | 4,6-bis(fluoranyl)-1,3-benzothiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(F)cc2sc(nc12)N |
| InChI | InChI | 1.03 | InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11) |
| InChIKey | InChI | 1.03 | DDKKXSCVPKDRRS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(F)cc(F)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(F)cc(F)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(cc2c(c1F)nc(s2)N)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(cc2c(c1F)nc(s2)N)F |
