≥95% 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.
| Canonical Smiles | CSC1=NC2=C(CCN(C2)CC3=CC=CC=C3)C(=N1)Cl |
|---|---|
| IUPAC Name | 7-benzyl-4-chloro-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine |
| InChIKey | PDZGYMZCMUSHBP-UHFFFAOYSA-N |
| INCHI | 1S/C15H16ClN3S/c1-20-15-17-13-10-19(8-7-12(13)14(16)18-15)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| Isomeric SMILES | CSC1=NC2=C(CCN(C2)CC3=CC=CC=C3)C(=N1)Cl |
| Alternate CAS | 859826-11-2 |
| PubChem CID | 52987659 |
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 | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Phenylmethylamines Benzylamines Halopyrimidines Aralkylamines Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Trialkylamines Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Benzylamine - Aryl thioether - Phenylmethylamine - Halopyrimidine - Alkylarylthioether - Aralkylamine - Benzenoid - Pyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Thioether - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 305.800 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 305.075 Da |
| Monoisotopic Mass | 305.075 Da |
| Topological Polar Surface Area | 54.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| 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 |
![7-Benzyl-4-chloro-2-(methylthio)-5，6，7，8-tetrahydropyrido[3，4-d]pyrimidine - ≥95% CAS No(859826-11-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/7/B733188.jpg)