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252562-00-8,MFCD09909541
Catalog No.:AA003HK5
252562-00-8 | 2-Methyl-4-(methylsulfonyl)aniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$95.00
- +
1g
95%
in stock  
$212.00
- +
5g
95%
in stock  
$578.00
- +
10g
95%
in stock  
$1,067.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HK5
Chemical Name:
2-Methyl-4-(methylsulfonyl)aniline
CAS Number:
252562-00-8
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD09909541
IUPAC Name:
2-methyl-4-methylsulfonylaniline
InChI:
InChI=1S/C8H11NO2S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5H,9H2,1-2H3
InChI Key:
DWQJEYKNLZWXLJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
2-Methyl-4-(methylsulfonyl)aniline 
252562-00-8 
AKOS009471438 
MCULE-2111476539 
NE24478 
TRA0073586 
CS-11815 
SY030781 
FT-0714694 
EN300-77012 
MFCD09909541 (95%) 
Z1267881751 
4-methanesulfonyl-2-methylaniline 
C8H11NO2S 
2-methyl-4-(methylsulfonyl)Benzenamine 
2-METHYL-4-METHYLSULFONYLANILINE 
Benzenamine, 2-methyl-4-(methylsulfonyl)- 
SCHEMBL4639254 
KS-000009YW 
6193AJ 
MFCD09909541 
ZINC35277494 
Literature
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