Home Boronic acids 5-Methyl-2-(methylthio)phenylboronic acid

5-Methyl-2-(methylthio)phenylboronic acid

CAS No.:
1259443-48-5
Catalog Number:
AG00HIRA
Molecular Formula:
C8H11BO2S
Molecular Weight:
182.0477
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$313
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Product Description
Catalog Number:
AG00HIRA
Chemical Name:
5-Methyl-2-(methylthio)phenylboronic acid
CAS Number:
1259443-48-5
Molecular Formula:
C8H11BO2S
Molecular Weight:
182.0477
MDL Number:
MFCD18384185
IUPAC Name:
(5-methyl-2-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO2S/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:
QNLWXIOFGZGNAJ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1B(O)O)C
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.057g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.044g/mol
Monoisotopic Mass:
182.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties