Home Boronic acids 5-(Butylthio)pyridine-3-boronic acid

5-(Butylthio)pyridine-3-boronic acid

CAS No.:
2096339-87-4
Catalog Number:
AG01EHOE
Molecular Formula:
C9H14BNO2S
Molecular Weight:
211.0890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG01EHOE
Chemical Name:
5-(Butylthio)pyridine-3-boronic acid
CAS Number:
2096339-87-4
Molecular Formula:
C9H14BNO2S
Molecular Weight:
211.0890
MDL Number:
MFCD18914513
IUPAC Name:
(5-butylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C9H14BNO2S/c1-2-3-4-14-9-5-8(10(12)13)6-11-7-9/h5-7,12-13H,2-4H2,1H3
InChI Key:
OJWSXKMNPMQOHL-UHFFFAOYSA-N
SMILES:
CCCCSc1cncc(c1)B(O)O
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.086g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties