≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN(C)C1=NC2=C(N1C3=CC=C(C=C3)Br)SC(=C2)C(=O)O |
|---|---|
| IUPAC Name | 3-(4-bromophenyl)-2-(dimethylamino)thieno[2,3-d]imidazole-5-carboxylic acid |
| InChIKey | UMHKWEVMUSNGCY-UHFFFAOYSA-N |
| INCHI | 1S/C14H12BrN3O2S/c1-17(2)14-16-10-7-11(13(19)20)21-12(10)18(14)9-5-3-8(15)4-6-9/h3-7H,1-2H3,(H,19,20) |
| Isomeric SMILES | CN(C)C1=NC2=C(N1C3=CC=C(C=C3)Br)SC(=C2)C(=O)O |
| PubChem CID | 39869528 |
| Molecular Weight | 366.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Thiophene carboxylic acids Thienoimidazoles 2,3,5-trisubstituted thiophenes Dialkylarylamines Bromobenzenes Aminoimidazoles N-substituted imidazoles Aryl bromides Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organooxygen compounds Organobromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylimidazole - Thienoimidazole - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl halide - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Thiophene - Amino acid - Amino acid or derivatives - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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 | 366.230 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 364.983 Da |
| Monoisotopic Mass | 364.983 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| 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 |
![3-(4-bromophenyl)-2-(dimethylamino)-3H-thieno[2,3-d]imidazole-5-carboxylic acid - ≥95% , CAS No.1087784-20-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)