K22
Summary
| Name: | 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE |
| Formula: | C7 H2 Br4 N2 S |
| Formal charge: | 0 |
| Formula weight: | 465.785 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazole-2-thione |
| OpenEye OEToolkits | 1.5.0 | 4,5,6,7-tetrabromo-1,3-dihydrobenzimidazole-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1c2c(c(Br)c(Br)c1Br)NC(=S)N2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Brc1c(Br)c(Br)c2NC(=S)Nc2c1Br |
| SMILES | CACTVS | 3.341 | Brc1c(Br)c(Br)c2NC(=S)Nc2c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2 |
| InChI | InChI | 1.03 | InChI=1S/C7H2Br4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14) |
| InChIKey | InChI | 1.03 | GYVCACUYQFXPLN-UHFFFAOYSA-N |
