Home Other Building Blocks 3-(phenylmethanesulfinylmethyl)aniline

3-(phenylmethanesulfinylmethyl)aniline

CAS No.:
1292690-62-0
Catalog Number:
AG01AIYE
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
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Product Description
Catalog Number:
AG01AIYE
Chemical Name:
3-(phenylmethanesulfinylmethyl)aniline
CAS Number:
1292690-62-0
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
MDL Number:
MFCD13475732
IUPAC Name:
3-(benzylsulfinylmethyl)aniline
InChI:
InChI=1S/C14H15NOS/c15-14-8-4-7-13(9-14)11-17(16)10-12-5-2-1-3-6-12/h1-9H,10-11,15H2
InChI Key:
CFPYJKPMBBHLKE-UHFFFAOYSA-N
SMILES:
O=S(Cc1cccc(c1)N)Cc1ccccc1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties