≥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 | C=CCNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N |
|---|---|
| IUPAC Name | [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(4-nitrophenyl)methanone |
| InChIKey | WEMUQGJPZVPURD-UHFFFAOYSA-N |
| INCHI | 1S/C13H12N4O3S/c1-2-7-15-13-16-12(14)11(21-13)10(18)8-3-5-9(6-4-8)17(19)20/h2-6H,1,7,14H2,(H,15,16) |
| Isómeros SMILES | C=CCNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N |
| PubChem CID | 3429074 |
| Peso molecular | 304.33 |
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 | Nitrobenzenes 2,4,5-trisubstituted thiazoles Benzoyl derivatives Nitroaromatic compounds 2-amino-1,3-thiazoles Imidolactams Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Primary amines Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Benzoyl - 1,3-thiazolamine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic salt - Primary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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 | 304.330 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 304.063 Da |
| Monoisotopic Mass | 304.063 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| 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 |
methanone - ≥90% , CAS No.478247-68-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)