≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=C2CCNCC2=N1.Cl |
|---|---|
| IUPAC Name | 2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride |
| InChIKey | YFKALMFJNBJAGK-UHFFFAOYSA-N |
| INCHI | 1S/C8H11N3S.ClH/c1-12-8-10-4-6-2-3-9-5-7(6)11-8;/h4,9H,2-3,5H2,1H3;1H |
| Isómeros SMILES | CSC1=NC=C2CCNCC2=N1.Cl |
| PubChem CID | 54579857 |
| Peso molecular | 217.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Aralkylamines Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Sulfenyl compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Aryl thioether - Alkylarylthioether - Aralkylamine - Pyrimidine - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 217.720 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.044 Da |
| Monoisotopic Mass | 217.044 Da |
| Topological Polar Surface Area | 63.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 | 2 |
![2-(Methylthio)-5，6，7，8-tetrahydropyrido[3，4-d]pyrimidine Hydrochloride - ≥96% CAS No(1226776-81-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/7/T733822.jpg)