≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC |
|---|---|
| IUPAC Name | (E)-N-[(2S)-1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide |
| InChIKey | XKLZIVIOZDNKEQ-RVUDUMFNSA-N |
| INCHI | 1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23?/m0/s1 |
| Isomeric SMILES | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)CS(=O)CSC |
| Alternate CAS | 1404-64-4 |
| PubChem CID | 447106 |
| NSC Number | 59729 |
| MeSH Entry Terms | Sparsomycin |
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 |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Sulfoxides Secondary carboxylic acid amides Lactams Sulfinyl compounds Sulfenyl compounds Azacyclic compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Sulfoxide - Urea - Sulfenyl compound - Sulfinyl compound - Carboxylic acid derivative - Thioether - Azacycle - Dialkylthioether - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxide - 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 | 361.400 g/mol |
|---|---|
| XLogP3 | -1.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 361.077 Da |
| Monoisotopic Mass | 361.077 Da |
| Topological Polar Surface Area | 169.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 574.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
