Home Halogens 2-[(4-aminophenyl)sulfanyl]-5-chlorobenzonitrile

2-[(4-aminophenyl)sulfanyl]-5-chlorobenzonitrile

CAS No.:
1495365-71-3
Catalog Number:
AG01C1QS
Molecular Formula:
C13H9ClN2S
Molecular Weight:
260.7420
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Product Description
Catalog Number:
AG01C1QS
Chemical Name:
2-[(4-aminophenyl)sulfanyl]-5-chlorobenzonitrile
CAS Number:
1495365-71-3
Molecular Formula:
C13H9ClN2S
Molecular Weight:
260.7420
MDL Number:
MFCD17085685
IUPAC Name:
2-(4-aminophenyl)sulfanyl-5-chlorobenzonitrile
InChI:
InChI=1S/C13H9ClN2S/c14-10-1-6-13(9(7-10)8-15)17-12-4-2-11(16)3-5-12/h1-7H,16H2
InChI Key:
MMIQQPMOKPAHEE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1Sc1ccc(cc1)N
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.017g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.739g/mol
Monoisotopic Mass:
260.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties