≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | CSC1=NC=C(C(=N1)Cl)C(=O)Cl |
|---|---|
| IUPAC Name | 4-chloro-2-methylsulfanylpyrimidine-5-carbonyl chloride |
| InChIKey | NMFCRGDGVPCDHH-UHFFFAOYSA-N |
| INCHI | 1S/C6H4Cl2N2OS/c1-12-6-9-2-3(5(8)11)4(7)10-6/h2H,1H3 |
| Isómeros SMILES | CSC1=NC=C(C(=N1)Cl)C(=O)Cl |
| CAS alternativo | 55084-66-7 |
| PubChem CID | 18969078 |
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 |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidinecarboxylic acids and derivatives |
| Alternative Parents | Halopyrimidines Alkylarylthioethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Acyl chlorides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine-5-carboxylic acid or derivatives - Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Acyl chloride - Thioether - Sulfenyl compound - Acyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof). |
| External Descriptors | Not available |
| Peso molecular | 223.080 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 221.942 Da |
| Monoisotopic Mass | 221.942 Da |
| Topological Polar Surface Area | 68.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
