Home Other Building Blocks [(4-methanesulfinylphenyl)methyl](methyl)amine

[(4-methanesulfinylphenyl)methyl](methyl)amine

CAS No.:
128668-80-4
Catalog Number:
AG019U3Z
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
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Product Description
Catalog Number:
AG019U3Z
Chemical Name:
[(4-methanesulfinylphenyl)methyl](methyl)amine
CAS Number:
128668-80-4
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD20547530
IUPAC Name:
N-methyl-1-(4-methylsulfinylphenyl)methanamine
InChI:
InChI=1S/C9H13NOS/c1-10-7-8-3-5-9(6-4-8)12(2)11/h3-6,10H,7H2,1-2H3
InChI Key:
ILRUWCDVYZQVNX-UHFFFAOYSA-N
SMILES:
CNCc1ccc(cc1)S(=O)C
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties