Home Nitriles 2-[(4-aminophenyl)sulfanyl]benzonitrile

2-[(4-aminophenyl)sulfanyl]benzonitrile

CAS No.:
1250596-32-7
Catalog Number:
AG01C1OQ
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C1OQ
Chemical Name:
2-[(4-aminophenyl)sulfanyl]benzonitrile
CAS Number:
1250596-32-7
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD14642434
IUPAC Name:
2-(4-aminophenyl)sulfanylbenzonitrile
InChI:
InChI=1S/C13H10N2S/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8H,15H2
InChI Key:
IUGPUIIHUVWKED-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Sc1ccc(cc1)N
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties