≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 | 504772474 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772474 |
| Canonical Smiles | CC1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C |
| IUPAC Name | 2,4-dimethyl-1-(2-nitrophenyl)sulfanylbenzene |
| InChIKey | SHBWPKLGXVSPIP-UHFFFAOYSA-N |
| INCHI | 1S/C14H13NO2S/c1-10-7-8-13(11(2)9-10)18-14-6-4-3-5-12(14)15(16)17/h3-9H,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C |
| Molecular Weight | 259.32 |
| Reaxy-Rn | 5952222 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5952222&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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Nitrobenzenes m-Xylenes Thiophenol ethers Nitroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diarylthioether - Nitrobenzene - Nitroaromatic compound - M-xylene - Xylene - Thiophenol ether - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2406469 | Certificate of Analysis | May 28, 2024 | D587491 |
| F2406490 | Certificate of Analysis | May 28, 2024 | D587491 |
| F2406492 | Certificate of Analysis | May 28, 2024 | D587491 |
| F2406493 | Certificate of Analysis | May 28, 2024 | D587491 |
| F2406497 | Certificate of Analysis | May 28, 2024 | D587491 |
| F2406498 | Certificate of Analysis | May 28, 2024 | D587491 |
| Molecular Weight | 259.329 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.067 Da |
| Monoisotopic Mass | 259.067 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
