| CAS Number | 1354911-06-0 |
| Catalog Number | AG01B98D |
| Chemical Name | 4-Methyl-2-(methylsulfanyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| IUPAC Name | 4-methyl-2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C13H20BNO2S/c1-9-7-11(18-6)15-8-10(9)14-16-12(2,3)13(4,5)17-14/h7-8H,1-6H3 |
| InChI Key | QXFZJDNQLTZSCF-UHFFFAOYSA-N |
| MDL Number | MFCD28954038 |
| Molecular Formula | C13H20BNO2S |
| Molecular Weight | 265.1794 |
| SMILES | CSC1=NC=C(B2OC(C)(C)C(C)(C)O2)C(C)=C1 |
| Synonyms | 4-methyl-2-(methylsulfanyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
1354911-06-0,
ZINC238855239,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.178g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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