Home Other Building Blocks Sulfilimine,S,S-diphenyl-

Sulfilimine,S,S-diphenyl-

CAS No.:
36744-90-8
Catalog Number:
AG0078CJ
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
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Product Description
Catalog Number:
AG0078CJ
Chemical Name:
Sulfilimine,S,S-diphenyl-
CAS Number:
36744-90-8
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
MDL Number:
MFCD00001757
IUPAC Name:
imino(diphenyl)-λ4-sulfane
InChI:
InChI=1S/C12H11NS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChI Key:
LEXXWUCMDYEREL-UHFFFAOYSA-N
SMILES:
N=S(c1ccccc1)c1ccccc1
EC Number:
253-182-0
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Use of simple docking methods to screen a virtual library for heteroactivators of cytochrome P450 2C9. Journal of medicinal chemistry 20070322
Properties