Home Other Building Blocks 3-(methanesulfinylmethyl)aniline

3-(methanesulfinylmethyl)aniline

CAS No.:
1249638-14-9
Catalog Number:
AG01AIQO
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
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Product Description
Catalog Number:
AG01AIQO
Chemical Name:
3-(methanesulfinylmethyl)aniline
CAS Number:
1249638-14-9
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD14650766
IUPAC Name:
3-(methylsulfinylmethyl)aniline
InChI:
InChI=1S/C8H11NOS/c1-11(10)6-7-3-2-4-8(9)5-7/h2-5H,6,9H2,1H3
InChI Key:
DGNXUJQUNDWVAK-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1cccc(c1)N
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:
-0.1  
Properties