for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)O |
|---|---|
| IUPAC Name | 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-hydroxyphenyl)acetamide |
| InChIKey | ZXXJUSSVHKICFE-UHFFFAOYSA-N |
| INCHI | 1S/C18H13N3O3S/c22-12-5-3-4-11(8-12)21-15(23)9-25-18-17-16(19-10-20-18)13-6-1-2-7-14(13)24-17/h1-8,10,22H,9H2,(H,21,23) |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)O |
| PubChem CID | 4539515 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Anilides N-arylamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers Pyrimidines and pyrimidine derivatives Furans Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anilide - Benzofuran - N-arylamide - Aryl thioether - 1-hydroxy-4-unsubstituted benzenoid - Alkylarylthioether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
| Molecular Weight | 351.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 351.068 Da |
| Monoisotopic Mass | 351.068 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| 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 |
![2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-hydroxyphenyl)acetamide - CAS No(848688-62-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B1023739.jpg)