≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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=CNC2=C1C(=NC=N2)Cl |
|---|---|
| IUPAC Name | 4-chloro-5-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine |
| InChIKey | OUDUMILAWSRWRY-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClN3S/c1-12-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11) |
| Isomeric SMILES | CSC1=CNC2=C1C(=NC=N2)Cl |
| PubChem CID | 10774384 |
| Molecular Weight | 199.66 |
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 Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen 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 | 199.660 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 198.997 Da |
| Monoisotopic Mass | 198.997 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
![4-chloro-5-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine - ≥97% CAS No(144927-56-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/6/C679123.jpg)