≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | methyl 3-[4-(4-phenylbenzoyl)triazol-1-yl]thiophene-2-carboxylate |
| InChIKey | PQEPDTQEZQTNEX-UHFFFAOYSA-N |
| INCHI | 1S/C21H15N3O3S/c1-27-21(26)20-18(11-12-28-20)24-13-17(22-23-24)19(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3 |
| Isómeros SMILES | COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4 |
| PubChem CID | 1485251 |
| Peso molecular | 389.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Biphenyls and derivatives Thiophene carboxylic acids and derivatives Benzoyl derivatives Vinylogous amides Triazoles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Biphenyl - Benzoyl - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Methyl ester - 1,2,3-triazole - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 389.400 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 389.083 Da |
| Monoisotopic Mass | 389.083 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 561.000 |
| 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 |
![methyl 3-[4-([1,1'-biphenyl]-4-ylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate - ≥90% , CAS No.439111-70-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)