Home Boronic acids 4-Methylthiophenylboronic acid

4-Methylthiophenylboronic acid

CAS No.:
98546-51-1
Catalog Number:
AG0033TU
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$25
- +
10g
95%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$94
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0033TU
Chemical Name:
4-Methylthiophenylboronic acid
CAS Number:
98546-51-1
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
MDL Number:
MFCD00093410
IUPAC Name:
(4-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
IVUHTLFKBDDICS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)B(O)O
Properties
Complexity:
113  
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
Literature
Title Journal
2-[4-(Methyl-sulfan-yl)phen-yl]naphtho[1,8-de][1,3,2]diaza-borinane. Acta crystallographica. Section E, Structure reports online 20110601
Properties