≥95% 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 | CSC1=NC2=C(C(=CN2)Br)C(=N1)Cl |
|---|---|
| IUPAC Name | 5-bromo-4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine |
| InChIKey | ILLCBZWHQZHRBS-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrClN3S/c1-13-7-11-5(9)4-3(8)2-10-6(4)12-7/h2H,1H3,(H,10,11,12) |
| Isomeric SMILES | CSC1=NC2=C(C(=CN2)Br)C(=N1)Cl |
| PubChem CID | 5380766 |
| NSC Number | 105824 |
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 | Pyrrolopyrimidines |
| Subclass | Pyrrolo[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,3-d]pyrimidines |
| Alternative Parents | Halopyrimidines Alkylarylthioethers Substituted pyrroles Aryl chlorides Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Aryl thioether - Alkylarylthioether - Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Sulfenyl compound - Thioether - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions. |
| External Descriptors | Not available |
| Molecular Weight | 278.560 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 276.908 Da |
| Monoisotopic Mass | 276.908 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
![5-Bromo-4-chloro-2-(methylthio)-7h-pyrrolo[2,3-d]pyrimidine - ≥95% , CAS No.183274-54-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)