for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)SCC3 |
|---|---|
| IUPAC Name | N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide |
| InChIKey | GJFOFDOUFIECBT-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N5O3S4/c1-3-28-19-23-22-17(31-19)21-14(25)10-30-18-20-11-8-9-29-15(11)16(26)24(18)12-6-4-5-7-13(12)27-2/h4-7H,3,8-10H2,1-2H3,(H,21,22,25) |
| Molecular Weight | 493.700 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Methoxyanilines Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Pyrimidones Thiadiazoles Heteroaromatic compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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 | 493.700 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 493.037 Da |
| Monoisotopic Mass | 493.037 Da |
| Topological Polar Surface Area | 201.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 765.000 |
| 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 |
![N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide , CAS No.362501-83-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)