≥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 | CN1CCN(CC1)CC2=CNC(=S)NC2=O |
|---|---|
| IUPAC Name | 5-[(4-methylpiperazin-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one |
| InChIKey | SBUDEXBPTXYYHW-UHFFFAOYSA-N |
| INCHI | 1S/C10H16N4OS/c1-13-2-4-14(5-3-13)7-8-6-11-10(16)12-9(8)15/h6H,2-5,7H2,1H3,(H2,11,12,15,16) |
| Isomeric SMILES | CN1CCN(CC1)CC2=CNC(=S)NC2=O |
| PubChem CID | 24213765 |
| Molecular Weight | 240.32 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Pyrimidinethiones N-methylpiperazines Aralkylamines 2-Thiopyrimidines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Trialkylamines Thioureas Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Hydropyrimidine - Piperazine - Heteroaromatic compound - Vinylogous amide - Lactam - Tertiary amine - Thiourea - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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 | 240.330 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 240.104 Da |
| Monoisotopic Mass | 240.104 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 334.000 |
| 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-[(4-Methylpiperazino)methyl]-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone - ≥95% , CAS No.952183-05-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)