≥95% 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 | C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC(=O)O |
|---|---|
| IUPAC Name | 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid |
| InChIKey | RYFWXBSJYRZDOB-UHFFFAOYSA-N |
| INCHI | 1S/C13H10N2O3S3/c16-10(17)6-19-5-9-14-12(18)11-7(4-21-13(11)15-9)8-2-1-3-20-8/h1-4H,5-6H2,(H,16,17)(H,14,15,18) |
| Molecular Weight | 338.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Bi- and oligothiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bi- and oligothiophenes |
| Alternative Parents | Thienopyrimidines Pyrimidones Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Bithiophene - Thienopyrimidine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - Sulfenyl compound - Azacycle - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 338.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 337.985 Da |
| Monoisotopic Mass | 337.985 Da |
| Topological Polar Surface Area | 161.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 |
![2-({[4-oxo-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid - ≥95% CAS No(743453-36-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/9/O976139.jpg)