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.
Thenium Closylate is active against parasitic nematodes, more specifically those of the stomach and intestines.
| Canonical Smiles | C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl |
|---|---|
| IUPAC Name | 4-chlorobenzenesulfonate;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium |
| InChIKey | QMAHSUSUOMSSBK-UHFFFAOYSA-M |
| INCHI | 1S/C15H20NOS.C6H5ClO3S/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;7-5-1-3-6(4-2-5)11(8,9)10/h3-9,12H,10-11,13H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1 |
| Isomeric SMILES | C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl |
| PubChem CID | 498092 |
| Molecular Weight | 454 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonic acids and derivatives |
| Alternative Parents | Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organosulfur compound - Organochloride - Organohalogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. |
| External Descriptors | Not available |
| Solubility | Soluble in Water at 20°C and 0.6%w/v |
|---|---|
| Melt Point(°C) | 159-160°C (lit.) |
| Molecular Weight | 454.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 453.084 Da |
| Monoisotopic Mass | 453.084 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 436.000 |
| 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 | 2 |
