≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sorrisi canonici | CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC)C |
|---|---|
| IUPAC Name | 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide |
| InChIKey | QSIYTNYMBWYHAA-UHFFFAOYSA-N |
| INCHI | 1S/C19H20N4O3S2/c1-4-14-11(2)20-18(23-17(14)25)28-10-16(24)22-19-21-15(9-27-19)12-5-7-13(26-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,20,23,25)(H,21,22,24) |
| Isomeri SMILES | CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC)C |
| WGK Germania | 3 |
| PubChem CID | 135460621 |
| Peso molecolare | 416.52 |
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 | Benzenoids |
| Classe | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Methoxybenzenes N-arylamides Phenoxy compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Alkylarylthioethers Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Peso molecolare | 416.500 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 416.098 Da |
| Monoisotopic Mass | 416.098 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 660.000 |
| 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 |
| 1. Jiaao Shen, Zijia Man, Weiwei Li, Mengqi Guo, Zefeng Xiang, Long Ma, Xianjiang Kang, Shuai Guo. (2025) Natural isoflavone sophoricoside emerges as a therapeutic candidate for lung cancer targeting TMEM16A ion channel. PHYTOMEDICINE, [PMID:41014666] [10.1016/j.phymed.2025.157289] |
| 2. Xue Bai, Yinuo Liu, Yuchen Cao, Zhouye Ma, Yue Chen, Shuai Guo. (2024) Exploring the potential of cryptochlorogenic acid as a dietary adjuvant for multi-target combined lung cancer treatment. PHYTOMEDICINE, [PMID:39053244] [10.1016/j.phymed.2024.155907] |
