Home Boronic Acids 1016641-70-5
1016641-70-5,MFCD16660301
Catalog No.:AA000514
1016641-70-5 | 4-Methylsulfinylphenylboronic acid, pinacol ester
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250mg
95%
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1g
95%
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5g
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$1,397.00   $978.00
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Technical Information
Catalog Number:
AA000514
Chemical Name:
4-Methylsulfinylphenylboronic acid, pinacol ester
CAS Number:
1016641-70-5
Molecular Formula:
C13H19BO3S
Molecular Weight:
266.1642
MDL Number:
MFCD16660301
IUPAC Name:
4,4,5,5-tetramethyl-2-(4-methylsulfinylphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H19BO3S/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(9-7-10)18(5)15/h6-9H,1-5H3
InChI Key:
NWLRDFRSFJEVCD-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.162g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
1016641-70-5 
4,4,5,5-Tetramethyl-2-(4-(methylsulfinyl)phenyl)-1,3,2-dioxaborolane 
MFCD16660301 
AKOS016004713 
FCH2772480 
DA-16349 
OR361474 
AX8235994 
FT-0724564 
X1493 
A-4118 
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(methylsulfinyl)phenyl]- 
4-methylsulfinylphenylboronic acid, pinacol ester 
2-[4-(Methanesulfinyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
C13H19BO3S 
4-Methylsulfinylphenylboronic acid pinacol ester 
4,4,5,5-tetramethyl-2-[4-(methylsulfinyl)phenyl]-1,3,2-dioxaborolane 
SCHEMBL3214269 
CTK8C1266 
DTXSID60682205 
NWLRDFRSFJEVCD-UHFFFAOYSA-N 
ANW-66133 
Literature
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