≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC1=CC=CC=C1N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=NC5=CC=CC=C5S4 |
|---|---|
| IUPAC Name | N-(1,3-benzothiazol-2-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide |
| InChIKey | HBORREDAFXDZQS-UHFFFAOYSA-N |
| INCHI | 1S/C22H18N4O3S3/c1-29-16-8-4-3-7-15(16)26-20(28)19-14(10-11-30-19)24-22(26)31-12-18(27)25-21-23-13-6-2-5-9-17(13)32-21/h2-9H,10-12H2,1H3,(H,23,25,27) |
| Isomeric SMILES | COC1=CC=CC=C1N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=NC5=CC=CC=C5S4 |
| PubChem CID | 3644350 |
| Molecular Weight | 482.6 |
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 | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Benzothiazoles Methoxyanilines Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Pyrimidones Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Methoxyaniline - 1,3-benzothiazole - Phenol ether - N-arylamide - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Alkyl aryl ether - Alkylarylthioether - Pyrimidone - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Lactam - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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 | 482.600 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 482.054 Da |
| Monoisotopic Mass | 482.054 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 820.000 |
| 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-(benzo[d]thiazol-2-yl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide - ≥98% , CAS No.362501-82-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)