Home Boronic Acids 1005207-32-8
1005207-32-8,MFCD06801692
Catalog No.:AA000262
1005207-32-8 | 4-Benzylthiophenylboronic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$86.00   $60.00
- +
5g
96%
in stock  
$258.00   $180.00
- +
25g
96%
in stock  
$762.00   $534.00
  • Technical Information
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Technical Information
Catalog Number:
AA000262
Chemical Name:
4-Benzylthiophenylboronic acid
CAS Number:
1005207-32-8
Molecular Formula:
C13H13BO2S
Molecular Weight:
244.1171
MDL Number:
MFCD06801692
IUPAC Name:
(4-benzylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C13H13BO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChI Key:
ALXFJPATEOZQPF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)SCc1ccccc1)O
Properties
Computed Properties
 
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.073g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.115g/mol
Monoisotopic Mass:
244.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
(4-(Benzylthio)phenyl)boronic acid 
4-Benzylthiophenylboronic acid 
ZINC169747455 
AB30092 
B2404G1 
RP07637 
OR360173 
AX8230026 
ST2402382 
TC-068105 
TC-142306 
FT-0685331 
1005207-32-8 
Y6773 
A-4071 
Boronic acid, B-[4-[(phenylmethyl)thio]phenyl]- 
J-514511 
C13H13BO2S 
(4-(Benzylthio)phenyl)boronicacid 
4-(benzylsulfanyl)phenylboronic acid 
SCHEMBL257989 
4-(Benzylthio)phenylboronic acid 
CTK7I2605 
ANW-53561 
MFCD06801692 
AKOS004119223 
Literature
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