Home Boronic acids 3-(Cyclohexylthio)phenylboronic acid

3-(Cyclohexylthio)phenylboronic acid

CAS No.:
2096339-78-3
Catalog Number:
AG01EHMO
Molecular Formula:
C12H17BO2S
Molecular Weight:
236.1382
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG01EHMO
Chemical Name:
3-(Cyclohexylthio)phenylboronic acid
CAS Number:
2096339-78-3
Molecular Formula:
C12H17BO2S
Molecular Weight:
236.1382
MDL Number:
MFCD18914505
IUPAC Name:
(3-cyclohexylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C12H17BO2S/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11,14-15H,1-3,6-7H2
InChI Key:
BHRQRSBOMCAGNE-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)SC1CCCCC1)O
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.104g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.136g/mol
Monoisotopic Mass:
236.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties