≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CNC(=S)C=C3 |
|---|---|
| IUPAC Name | 5-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione |
| InChIKey | FQBIEZWSRLMUKG-UHFFFAOYSA-N |
| INCHI | 1S/C16H19N3O2S2/c20-23(21,15-6-7-16(22)17-12-15)19-10-8-18(9-11-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,17,22) |
| Molecular Weight | 349.5 |
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 | Pyridines and derivatives |
| Subclass | Pyridinesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinesulfonamides |
| Alternative Parents | Phenylmethylamines Benzylamines N-alkylpiperazines Dihydropyridines Aralkylamines Organosulfonamides Thiolactams Sulfonyls Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine-3-sulfonamide - Benzylamine - Phenylmethylamine - Dihydropyridine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Hydropyridine - Piperazine - Organosulfonic acid amide - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiolactam - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups. |
| External Descriptors | Not available |
| Molecular Weight | 349.500 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 349.092 Da |
| Monoisotopic Mass | 349.092 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 593.000 |
| 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 |
