≥90% 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 | CNC1=NC(=C(C(=N1)Cl)SC)NCC2=CC=C(C=C2)F |
|---|---|
| IUPAC Name | 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine |
| InChIKey | JGTLHFGSZMIYTA-UHFFFAOYSA-N |
| INCHI | 1S/C13H14ClFN4S/c1-16-13-18-11(14)10(20-2)12(19-13)17-7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3,(H2,16,17,18,19) |
| Isomeric SMILES | CNC1=NC(=C(C(=N1)Cl)SC)NCC2=CC=C(C=C2)F |
| PubChem CID | 1475481 |
| Molecular Weight | 312.8 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Benzylamines Alkylarylthioethers Secondary alkylarylamines Aminopyrimidines and derivatives Halopyrimidines Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organochlorides Organofluorides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Benzylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Sulfenyl compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - 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 | 312.790 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 312.061 Da |
| Monoisotopic Mass | 312.061 Da |
| Topological Polar Surface Area | 75.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
