K37
Summary
| Name: | 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE |
| Synonyms: | S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE |
| Formula: | C8 H4 Br4 N2 S |
| Formal charge: | 0 |
| Formula weight: | 479.812 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,5,6,7-tetrabromo-2-(methylsulfanyl)-1H-benzimidazole |
| OpenEye OEToolkits | 1.5.0 | 4,5,6,7-tetrabromo-2-methylsulfanyl-1H-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc2c1nc(SC)nc1c(Br)c(Br)c2Br |
| SMILES_CANONICAL | CACTVS | 3.341 | CSc1[nH]c2c(Br)c(Br)c(Br)c(Br)c2n1 |
| SMILES | CACTVS | 3.341 | CSc1[nH]c2c(Br)c(Br)c(Br)c(Br)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br |
| InChI | InChI | 1.03 | InChI=1S/C8H4Br4N2S/c1-15-8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | ZIGJZZDDPXRGTL-UHFFFAOYSA-N |
