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2-(ethanesulfinyl)aniline

CAS No.:
1306905-83-8
Catalog Number:
AG019S1P
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
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Product Description
Catalog Number:
AG019S1P
Chemical Name:
2-(ethanesulfinyl)aniline
CAS Number:
1306905-83-8
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD14643924
IUPAC Name:
2-ethylsulfinylaniline
InChI:
InChI=1S/C8H11NOS/c1-2-11(10)8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
InChI Key:
XITROMZTFGRJFN-UHFFFAOYSA-N
SMILES:
CCS(=O)c1ccccc1N
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties