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Home Sulfos 4-(Methylsulfonyl)aniline

4-(Methylsulfonyl)aniline

CAS No.:
5470-49-5
Catalog Number:
AG003LSS
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003LSS
Chemical Name:
4-(Methylsulfonyl)aniline
CAS Number:
5470-49-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD00025353
IUPAC Name:
4-methylsulfonylaniline
InChI:
InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChI Key:
XJEVFFNOMKXBLU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)C
EC Number:
226-803-8
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Design, synthesis and preliminary pharmacological evaluation of new non-steroidal anti-inflammatory agents having a 4-(methylsulfonyl) aniline pharmacophore. Molecules (Basel, Switzerland) 20120210
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties