| CAS Number | 1313760-66-5 |
| Catalog Number | AG00HSG2(AGN-PC-0WNQQH) |
| Chemical Name | 2-(Phenylthio)pyridine-5-boronic acid |
| IUPAC Name | (6-phenylsulfanylpyridin-3-yl)boronic acid |
| InChI | InChI=1S/C11H10BNO2S/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8,14-15H |
| InChI Key | NBTKVNHGSMDTAM-UHFFFAOYSA-N |
| MDL Number | MFCD12403511 |
| Molecular Formula | C11H10BNO2S |
| Molecular Weight | 231.0786 |
| SMILES | OB(c1ccc(nc1)Sc1ccccc1)O |
| Synonyms | 2-(Phenylthio)pyridine-5-boronic acid,
1313760-66-5,
(6-(Phenylthio)pyridin-3-yl)boronic acid,
ZINC211336611,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.076g/mol |
| Monoisotopic Mass | 231.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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