≥98% 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 | C1=CC=C(C(=C1)CSC2=NC(=CC(=O)N2)N)F |
|---|---|
| IUPAC Name | 4-amino-2-[(2-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one |
| InChIKey | QHSYWJAAJKBMJQ-UHFFFAOYSA-N |
| INCHI | 1S/C11H10FN3OS/c12-8-4-2-1-3-7(8)6-17-11-14-9(13)5-10(16)15-11/h1-5H,6H2,(H3,13,14,15,16) |
| Molecular Weight | 251.28 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Pyrimidones Alkylarylthioethers Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 251.280 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 251.053 Da |
| Monoisotopic Mass | 251.053 Da |
| Topological Polar Surface Area | 92.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 370.000 |
| 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 |
![6-amino-2-[(2-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one - ≥98% , CAS No.354582-82-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)