| Canonical Smiles | CCN1C(=CNC1=S)C2=CC=C(C=C2)Br |
|---|---|
| IUPAC Name | 4-(4-bromophenyl)-3-ethyl-1H-imidazole-2-thione |
| InChIKey | VIZTYUGVWFOATO-UHFFFAOYSA-N |
| INCHI | 1S/C11H11BrN2S/c1-2-14-10(7-13-11(14)15)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,13,15) |
| Molecular Weight | 283.19 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Bromobenzenes N-substituted imidazoles Imidazolethiones Aryl bromides Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidazole-2-thione - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Thiourea - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 283.190 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 281.983 Da |
| Monoisotopic Mass | 281.983 Da |
| Topological Polar Surface Area | 47.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 282.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
