≥97% 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 | CN1C(=NNC1=S)CN(C)S(=O)(=O)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | N-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide |
| InChIKey | YRPZOOJDSAEOIR-UHFFFAOYSA-N |
| INCHI | 1S/C11H14N4O2S2/c1-14(8-10-12-13-11(18)15(10)2)19(16,17)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,18) |
| Isomeric SMILES | CN1C(=NNC1=S)CN(C)S(=O)(=O)C2=CC=CC=C2 |
| PubChem CID | 847845 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Organosulfonamides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - 1,2,4-triazole - Aminosulfonyl compound - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 298.400 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 298.056 Da |
| Monoisotopic Mass | 298.056 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 477.000 |
| 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 |
![N-[(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylbenzenesulfonamide - ≥97% , CAS No.543694-40-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)