Home Other Building Blocks 3-[(2-methoxyethanesulfinyl)methyl]aniline

3-[(2-methoxyethanesulfinyl)methyl]aniline

CAS No.:
1250234-02-6
Catalog Number:
AG01AJ4G
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
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Product Description
Catalog Number:
AG01AJ4G
Chemical Name:
3-[(2-methoxyethanesulfinyl)methyl]aniline
CAS Number:
1250234-02-6
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD14631029
IUPAC Name:
3-(2-methoxyethylsulfinylmethyl)aniline
InChI:
InChI=1S/C10H15NO2S/c1-13-5-6-14(12)8-9-3-2-4-10(11)7-9/h2-4,7H,5-6,8,11H2,1H3
InChI Key:
FEGPRZQXTZVDHK-UHFFFAOYSA-N
SMILES:
COCCS(=O)Cc1cccc(c1)N
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties