≥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 | CN(CC1=NNC(=S)N1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | N-methyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide |
| InChIKey | ZHDFHHGVSKODGD-UHFFFAOYSA-N |
| INCHI | 1S/C16H16N4O2S2/c1-19(24(21,22)14-10-6-3-7-11-14)12-15-17-18-16(23)20(15)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,23) |
| Isomeric SMILES | CN(CC1=NNC(=S)N1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
| PubChem CID | 5298636 |
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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Benzenesulfonamide - Benzenesulfonyl group - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 360.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 360.071 Da |
| Monoisotopic Mass | 360.071 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 588.000 |
| 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-phenyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylbenzenesulfonamide - ≥97% , CAS No.728030-27-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)