| CAS Number | 2096339-87-4 |
| Catalog Number | AG01EHOE |
| Chemical Name | 5-(Butylthio)pyridine-3-boronic acid |
| IUPAC Name | (5-butylsulfanylpyridin-3-yl)boronic acid |
| InChI | InChI=1S/C9H14BNO2S/c1-2-3-4-14-9-5-8(10(12)13)6-11-7-9/h5-7,12-13H,2-4H2,1H3 |
| InChI Key | OJWSXKMNPMQOHL-UHFFFAOYSA-N |
| MDL Number | MFCD18914513 |
| Molecular Formula | C9H14BNO2S |
| Molecular Weight | 211.0890 |
| SMILES | CCCCSc1cncc(c1)B(O)O |
| Synonyms | 5-(Butylthio)pyridine-3-boronic acid,
2096339-87-4,
(5-(Butylthio)pyridin-3-yl)boronic acid,
MFCD18914513,
AKOS027374741,
ZINC169951683,
Y2778,
A-2983,
C9H14BNO2S,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.086g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number