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Home > Boronic Acids > 1171891-40-9
1171891-40-9 | Pyridine, 3-(methylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1171891-40-9 Catalog No: AG000DV5 MDL No:MFCD13182160
Product Description
Catalog Number:
AG000DV5
Chemical Name:
Pyridine, 3-(methylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1171891-40-9
Molecular Formula:
C12H18BNO2S
Molecular Weight:
251.1528
MDL Number:
MFCD13182160
IUPAC Name:
3-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C12H18BNO2S/c1-11(2)12(3,4)16-13(15-11)9-6-10(17-5)8-14-7-9/h6-8H,1-5H3
InChI Key:
QHBCHGQQPYKHEQ-UHFFFAOYSA-N
SMILES:
CSc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.151g/mol
Monoisotopic Mass:
251.115g/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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