≥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.
| Canonical Smiles | CC(C1=NC(=NC=C1)N)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 4-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]pyrimidin-2-amine |
| InChIKey | FWRGXFQZCMCDER-UHFFFAOYSA-N |
| INCHI | 1S/C12H10ClF3N4S/c1-6(9-2-3-18-11(17)20-9)21-10-8(13)4-7(5-19-10)12(14,15)16/h2-6H,1H3,(H2,17,18,20) |
| Isomeric SMILES | CC(C1=NC(=NC=C1)N)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
| PubChem CID | 3739211 |
| Molecular Weight | 334.75 |
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 | Aminopyrimidines and derivatives Alkylarylthioethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Aminopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Alkyl halide - Amine - 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 | 334.750 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 334.027 Da |
| Monoisotopic Mass | 334.027 Da |
| Topological Polar Surface Area | 90.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(1-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}ethyl)-2-pyrimidinamine - ≥90% , CAS No.338397-88-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)