≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | CSC1=NC(=NC=C1Br)Cl |
|---|---|
| IUPAC Name | 5-bromo-2-chloro-4-methylsulfanylpyrimidine |
| InChIKey | GSIMJSNRAAYBOG-UHFFFAOYSA-N |
| INCHI | 1S/C5H4BrClN2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3 |
| Isomeric SMILES | CSC1=NC(=NC=C1Br)Cl |
| Molecular Weight | 239.52 |
| Reaxy-Rn | 778083 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=778083&ln= |
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 | Alkylarylthioethers 2-halopyrimidines Aryl chlorides Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Halopyrimidine - 2-halopyrimidine - Alkylarylthioether - Aryl bromide - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2405086 | Certificate of Analysis | Jun 05, 2024 | B185455 |
| I2405087 | Certificate of Analysis | Jun 05, 2024 | B185455 |
| I2405088 | Certificate of Analysis | Jun 05, 2024 | B185455 |
| I2405089 | Certificate of Analysis | Jun 05, 2024 | B185455 |
| I2405090 | Certificate of Analysis | Jun 05, 2024 | B185455 |
| I2405091 | Certificate of Analysis | Jun 05, 2024 | B185455 |
| Boil Point(°C) | 346.1°C at 760 mmHg |
|---|---|
| Melt Point(°C) | 56-58°C |
| Molecular Weight | 239.520 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 237.897 Da |
| Monoisotopic Mass | 237.897 Da |
| Topological Polar Surface Area | 51.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
