≥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 | COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChIKey | KIMKGQVCXHWZFA-UHFFFAOYSA-N |
| INCHI | 1S/C18H11ClF3N5OS/c1-28-12-4-2-10(3-5-12)14-6-7-23-16-25-17(26-27(14)16)29-15-13(19)8-11(9-24-15)18(20,21)22/h2-9H,1H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl |
| PubChem CID | 1471176 |
| Molecular Weight | 437.83 |
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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Diarylthioethers Triazolopyrimidines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organofluorides Alkyl fluorides Organonitrogen compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyrimidine - 5-phenylpyrimidine - Diarylthioether - Triazolopyrimidine - Anisole - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Thioether - Azacycle - Sulfenyl compound - Ether - Alkyl halide - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 437.800 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 437.032 Da |
| Monoisotopic Mass | 437.032 Da |
| Topological Polar Surface Area | 90.500 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 554.000 |
| 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-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine - ≥90% CAS No(338775-15-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C934259.jpg)