≥95% 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 | CC1=NC(=NO1)C2=CC(=CC=C2)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride |
| InChIKey | YPMVPGZXUILSPT-UHFFFAOYSA-N |
| INCHI | 1S/C9H7ClN2O3S/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)16(10,13)14/h2-5H,1H3 |
| Isomeric SMILES | CC1=NC(=NO1)C2=CC(=CC=C2)S(=O)(=O)Cl |
| PubChem CID | 18525745 |
| Molecular Weight | 258.68 |
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 | Oxadiazoles |
| Intermediate Tree Nodes | 1,2,4-oxadiazoles |
| Direct Parent | Phenyloxadiazoles |
| Alternative Parents | Benzenesulfonyl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Benzenesulfonyl chloride - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Heteroaromatic compound - Azacycle - Oxacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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 phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 258.680 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 257.987 Da |
| Monoisotopic Mass | 257.987 Da |
| Topological Polar Surface Area | 81.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| 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 |
