Home Boronic Acids 864754-05-2
864754-05-2,MFCD08706011
Catalog No.:AA004MNH
864754-05-2 | 2-Hydroxymethylthiophen-4-boronic acid, pinacol ester
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100mg
97%
in stock  
$48.00   $34.00
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250mg
97%
in stock  
$72.00   $51.00
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1g
97%
in stock  
$140.00   $98.00
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Technical Information
Catalog Number:
AA004MNH
Chemical Name:
2-Hydroxymethylthiophen-4-boronic acid, pinacol ester
CAS Number:
864754-05-2
Molecular Formula:
C11H17BO3S
Molecular Weight:
240.1269
MDL Number:
MFCD08706011
IUPAC Name:
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol
InChI:
InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)8-5-9(6-13)16-7-8/h5,7,13H,6H2,1-4H3
InChI Key:
IBPANZFESPGCOB-UHFFFAOYSA-N
SMILES:
OCc1scc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.099g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.124g/mol
Monoisotopic Mass:
240.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
864754-05-2 
(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)methanol 
KS-00000Q1S 
ANW-53195 
MFCD08706011 
AKOS015949986 
ZINC169746685 
FCH2820953 
DS-17997 
FS000319 
OR361268 
AX8231598 
2-Hydroxymethylthiophen-4-boronic acid, pinacol ester 
TC-141940 
ST24020479 
A-2889 
5-hydroxymethylthiophene-3-boronic acid pinacol ester 
(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-y1)methanol 
2-Thiophenemethanol,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophen-2-yl]-methanol 
57639-20-0 
AK-94732 
5-(Hydroxymethyl)thiophen-3-boronic acid pinacol ester 
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanol 
IBPANZFESPGCOB-UHFFFAOYSA-N 
SCHEMBL1329768 
CTK8B6271 
DTXSID20590059 
Literature
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