≥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 | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)OC |
|---|---|
| IUPAC Name | tert-butyl 4-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate |
| InChIKey | AYYXEQZLBDVVCH-UHFFFAOYSA-N |
| INCHI | 1S/C15H24N4O3S/c1-15(2,3)22-14(20)19-8-6-18(7-9-19)11-10-12(21-4)17-13(16-11)23-5/h10H,6-9H2,1-5H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)OC |
| PubChem CID | 66569938 |
| Molecular Weight | 340.44 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Piperazine carboxylic acids Dialkylarylamines Aminopyrimidines and derivatives Alkylarylthioethers Alkyl aryl ethers Imidolactams Heteroaromatic compounds Carbamate esters Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Piperazine-1-carboxylic acid - Aryl thioether - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Ether - Azacycle - Thioether - Sulfenyl compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 340.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 340.157 Da |
| Monoisotopic Mass | 340.157 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 397.000 |
| 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 |
