Home Other Building Blocks 35216-39-8
35216-39-8,MFCD03764428
Catalog No.:AA003I63
35216-39-8 | 3-(Methylsulfonyl)aniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$55.00   $38.00
- +
5g
98%
in stock  
$200.00   $140.00
- +
10g
98%
in stock  
$389.00   $273.00
- +
25g
98%
in stock  
$866.00   $606.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003I63
Chemical Name:
3-(Methylsulfonyl)aniline
CAS Number:
35216-39-8
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD03764428
IUPAC Name:
3-methylsulfonylaniline
InChI:
InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
InChI Key:
MBNPJRQKQLLRIS-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
217  
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:
0.3  

Synonyms
 
3-(methylsulfonyl)aniline 
35216-39-8 
3-methanesulphonylaniline 
AC1L8KQC 
AC1Q4GHA 
3-methanesulfonyl-phenylamine 
3-(methylsulfonyl)Benzenamine 
3-Aminophenyl methyl sulphone 
3-methanesulphonyl-phenylamine 
SCHEMBL283512 
(3-amino)phenyl methyl sulphone 
CTK1B7122 
3-methylsulfonylaniline 
DTXSID60330234 
MBNPJRQKQLLRIS-UHFFFAOYSA-N 
ZINC153766 
ALBB-018270 
KS-000009TW 
STR09702 
MFCD03764428 
SBB072758 
3-(Methylsulfonyl)aniline, AldrichCPR 
AKOS003335580 
3-methanesulfonylaniline 
MCULE-4649056071 
PS-3952 
RP23352 
TRA0058436 
AJ-13083 
AK-34812 
AM803759 
CJ-01289 
SC-53351 
SY006327 
Benzenamine, 3-(methylsulfonyl)- 
ZB005553 
AB0037763 
DB-069170 
TC-307277 
FT-0705932 
ST45029121 
Y5090 
EN300-14687 
K-7990 
MFCD03764428 (97+%) 
3-(Methylsulphonyl)aniline 
AE-562/41004002 
J-510895 
I01-10015 
A2962/0124740 
C7H9NO2S 
2-METHYL-[1,4]DIAZEPANE 
CID428029 
NSC227966 
3-(Methylsulfonyl)aniline hydrochloride 
80213-28-1 
3-(methylsulfonyl)phenylamine 
286961-14-6 
3-(Methanesulfonyl)aniline 
[3-(methylsulfonyl)phenyl]amine hydrochloride 
m-methylsulfonylaniline 
Literature
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