Home Sulfos 3-[(2-methylpropane-2-sulfonyl)methyl]aniline

3-[(2-methylpropane-2-sulfonyl)methyl]aniline

CAS No.:
1156429-01-4
Catalog Number:
AG01AHQ8
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
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Product Description
Catalog Number:
AG01AHQ8
Chemical Name:
3-[(2-methylpropane-2-sulfonyl)methyl]aniline
CAS Number:
1156429-01-4
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
MDL Number:
MFCD12171471
IUPAC Name:
3-(tert-butylsulfonylmethyl)aniline
InChI:
InChI=1S/C11H17NO2S/c1-11(2,3)15(13,14)8-9-5-4-6-10(12)7-9/h4-7H,8,12H2,1-3H3
InChI Key:
LEZZEWMKTBVPGT-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CS(=O)(=O)C(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.098g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.322g/mol
Monoisotopic Mass:
227.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties