≥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.
| Sonrisas canónicas | CC(C(=O)O)SC1=NC(=CC(=O)N1)N |
|---|---|
| IUPAC Name | 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid |
| InChIKey | UBNNYFRYBPPHFY-UHFFFAOYSA-N |
| INCHI | 1S/C7H9N3O3S/c1-3(6(12)13)14-7-9-4(8)2-5(11)10-7/h2-3H,1H3,(H,12,13)(H3,8,9,10,11) |
| Peso molecular | 215.23 |
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 | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Pyrimidones Alkylarylthioethers Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Aminopyrimidine - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 215.230 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 215.036 Da |
| Monoisotopic Mass | 215.036 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[(6-Amino-4-oxo-1,4-dihydropyrimidin-2-YL)thio]propanoic acid - ≥95% , CAS No.532954-30-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)