Home Nitriles 2-[4-(Methylsulfanyl)phenyl]benzonitrile

2-[4-(Methylsulfanyl)phenyl]benzonitrile

CAS No.:
171879-75-7
Catalog Number:
AG007DE4
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG007DE4
Chemical Name:
2-[4-(Methylsulfanyl)phenyl]benzonitrile
CAS Number:
171879-75-7
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD05981388
IUPAC Name:
2-(4-methylsulfanylphenyl)benzonitrile
InChI:
InChI=1S/C14H11NS/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-9H,1H3
InChI Key:
FPPYLRPCUYIBLZ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccccc1C#N
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties