Home Other Building Blocks 3-(methanesulfinylmethyl)-2-methylaniline

3-(methanesulfinylmethyl)-2-methylaniline

CAS No.:
1250316-56-3
Catalog Number:
AG01AJ3D
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
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Product Description
Catalog Number:
AG01AJ3D
Chemical Name:
3-(methanesulfinylmethyl)-2-methylaniline
CAS Number:
1250316-56-3
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD14613662
IUPAC Name:
2-methyl-3-(methylsulfinylmethyl)aniline
InChI:
InChI=1S/C9H13NOS/c1-7-8(6-12(2)11)4-3-5-9(7)10/h3-5H,6,10H2,1-2H3
InChI Key:
UCHVPBMDDDXCOS-UHFFFAOYSA-N
SMILES:
Cc1c(CS(=O)C)cccc1N
Properties
Complexity:
172  
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:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties