≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
| Sonrisas canónicas | CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)S(=O)(=O)C |
|---|---|
| IUPAC Name | 5-(3-methylsulfonylphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine |
| InChIKey | IIEFAIOSYLQBJX-UHFFFAOYSA-N |
| INCHI | 1S/C15H12N6O2S3/c1-21-15(18-19-20-21)25-14-12-11(7-24-13(12)16-8-17-14)9-4-3-5-10(6-9)26(2,22)23/h3-8H,1-2H3 |
| Isómeros SMILES | CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)S(=O)(=O)C |
| PubChem CID | 44142148 |
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 | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Thienopyrimidines Benzenesulfonyl compounds Pyrimidines and pyrimidine derivatives Thiophenes Tetrazoles Sulfones Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diarylthioether - Thienopyrimidine - Benzenesulfonyl group - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Sulfone - Sulfonyl - Tetrazole - Thiophene - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Peso molecular | 404.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 404.018 Da |
| Monoisotopic Mass | 404.018 Da |
| Topological Polar Surface Area | 165.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 603.000 |
| 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 |
![5-(3-Methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine - ≥98% CAS No(1222765-97-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M979769.jpg)