Home Sulfos 2-(methanesulfonylmethyl)aniline

2-(methanesulfonylmethyl)aniline

CAS No.:
25195-69-1
Catalog Number:
AG00I4T5
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
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Product Description
Catalog Number:
AG00I4T5
Chemical Name:
2-(methanesulfonylmethyl)aniline
CAS Number:
25195-69-1
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD12823721
IUPAC Name:
2-(methylsulfonylmethyl)aniline
InChI:
InChI=1S/C8H11NO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6,9H2,1H3
InChI Key:
FYOZRCYKUKGDHH-UHFFFAOYSA-N
SMILES:
Nc1ccccc1CS(=O)(=O)C
Properties
Complexity:
230  
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:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties