S0E
Summary
| Name: | 6-(trifluoromethyl)-1,3-benzothiazol-2-amine |
| Formula: | C8 H5 F3 N2 S |
| Formal charge: | 0 |
| Formula weight: | 218.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(trifluoromethyl)-1,3-benzothiazol-2-amine |
| OpenEye OEToolkits | 1.7.6 | 6-(trifluoromethyl)-1,3-benzothiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc2nc(sc2c1)N |
| InChI | InChI | 1.03 | InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13) |
| InChIKey | InChI | 1.03 | WEDYEBJLWMPPOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(F)(F)F)sc(n2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(F)(F)F)sc(n2)N |
