≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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=CC(=C(S1)C#N)C)(O)O |
|---|---|
| IUPAC Name | (5-cyano-4-methylthiophen-2-yl)boronic acid |
| InChIKey | GTCXNUVYZCKGCH-UHFFFAOYSA-N |
| INCHI | 1S/C6H6BNO2S/c1-4-2-6(7(9)10)11-5(4)3-8/h2,9-10H,1H3 |
| Isomeric SMILES | B(C1=CC(=C(S1)C#N)C)(O)O |
| PubChem CID | 46739551 |
| Molecular Weight | 166.99 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | 2,3,5-trisubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,3,5-trisubstituted thiophenes |
| Alternative Parents | Heteroaromatic compounds Boronic acids Organic metalloid salts Nitriles Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,3,5-trisubstituted thiophene - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions. |
| External Descriptors | Not available |
| Molecular Weight | 167.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.021 Da |
| Monoisotopic Mass | 167.021 Da |
| Topological Polar Surface Area | 92.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| 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 |
