Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | B(C1=CN=C(N=C1)SC)(O)O |
|---|---|
| IUPAC Name | (2-methylsulfanylpyrimidin-5-yl)boronic acid |
| InChIKey | SLNVTXVTMQIKCE-UHFFFAOYSA-N |
| INCHI | 1S/C5H7BN2O2S/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3 |
| Isomeric SMILES | B(C1=CN=C(N=C1)SC)(O)O |
| Molecular Weight | 169.99 |
| Reaxy-Rn | 20798997 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20798997&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 | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Boronic acids Sulfenyl compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Alkylarylthioether - Pyrimidine - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Sulfenyl compound - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organoboron compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | May 28, 2025 | M176210 | |
| Certificate of Analysis | May 28, 2025 | M176210 | |
| Certificate of Analysis | May 28, 2025 | M176210 | |
| Certificate of Analysis | May 28, 2025 | M176210 |
| Molecular Weight | 170.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.032 Da |
| Monoisotopic Mass | 170.032 Da |
| Topological Polar Surface Area | 91.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 119.000 |
| 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 |