≥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.
| Sonrisas canónicas | CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCC2=CC(=O)SC21 |
|---|---|
| IUPAC Name | 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;4-methylbenzenesulfonic acid |
| InChIKey | FQNGDMMHUSPFOL-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NOS.C7H8O3S/c9-7-3-5-4-8-2-1-6(5)10-7;1-6-2-4-7(5-3-6)11(8,9)10/h3,6,8H,1-2,4H2;2-5H,1H3,(H,8,9,10) |
| Isómeros SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCC2=CC(=O)SC21 |
| PubChem CID | 45108320 |
| Peso molecular | 327.42 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Methylbenzenesulfonates |
| Alternative Parents | Tosyl compounds Thienopyridines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Piperidines Sulfonyls Organosulfonic acids Dihydrothiophenes Carbothioic S-lactones Thioesters Amino acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Not available |
| Substituents | P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Thienopyridine - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Piperidine - 2,5-dihydrothiophene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carbothioic s-lactone - Thiocarboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. |
| External Descriptors | Not available |
| Peso molecular | 327.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 327.06 Da |
| Monoisotopic Mass | 327.06 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 406.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
![5,6,7,7a-Tetrahydrothieno[3,2-c]pyridin-2(4H)-one 4-methylbenzenesulfonate - ≥95% , CAS No.952340-39-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)