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

2-[2-(Methylsulfanyl)phenyl]benzonitrile

CAS No.:
1352318-41-2
Catalog Number:
AG006ZAN
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG006ZAN
Chemical Name:
2-[2-(Methylsulfanyl)phenyl]benzonitrile
CAS Number:
1352318-41-2
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD20529501
IUPAC Name:
2-(2-methylsulfanylphenyl)benzonitrile
InChI:
InChI=1S/C14H11NS/c1-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15/h2-9H,1H3
InChI Key:
DGXUSSWQYKMTIW-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1ccccc1C#N
Properties
Complexity:
267  
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:
3.8  
Properties