Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC)(N) 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.
| Pubchem Sid | 488197003 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197003 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)[N+]#[C-] |
| IUPAC Name | 1-[isocyano(phenyl)methyl]sulfonyl-4-methylbenzene |
| InChIKey | KIJCBVOPJSHLBI-UHFFFAOYSA-N |
| INCHI | 1S/C15H13NO2S/c1-12-8-10-14(11-9-12)19(17,18)15(16-2)13-6-4-3-5-7-13/h3-11,15H,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)[N+]#[C-] |
| Molecular Weight | 271.33 |
| Reaxy-Rn | 2291401 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2291401&ln= |
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 →Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 10, 2025 | A151035 | |
| Certificate of Analysis | Dec 10, 2025 | A151035 | |
| Certificate of Analysis | Dec 10, 2025 | A151035 | |
| Certificate of Analysis | Jan 25, 2022 | A151035 | |
| Certificate of Analysis | Jan 25, 2022 | A151035 |
| Melt Point(°C) | 106 °C |
|---|---|
| Molecular Weight | 271.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 271.067 Da |
| Monoisotopic Mass | 271.067 Da |
| Topological Polar Surface Area | 46.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |