Home Boronic acids 3-Methylthiophenylboronic acid

3-Methylthiophenylboronic acid

CAS No.:
128312-11-8
Catalog Number:
AG000XYI
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$100
- +
Product Description
Catalog Number:
AG000XYI
Chemical Name:
3-Methylthiophenylboronic acid
CAS Number:
128312-11-8
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
MDL Number:
MFCD01319105
IUPAC Name:
(3-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
TYVPOLHSKGEXIH-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)B(O)O
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.017g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties