Home Nitriles 4-methyl-2-(phenylsulfanyl)benzonitrile

4-methyl-2-(phenylsulfanyl)benzonitrile

CAS No.:
90133-35-0
Catalog Number:
AG01A64U
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
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Product Description
Catalog Number:
AG01A64U
Chemical Name:
4-methyl-2-(phenylsulfanyl)benzonitrile
CAS Number:
90133-35-0
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD16731896
IUPAC Name:
4-methyl-2-phenylsulfanylbenzonitrile
InChI:
InChI=1S/C14H11NS/c1-11-7-8-12(10-15)14(9-11)16-13-5-3-2-4-6-13/h2-9H,1H3
InChI Key:
ISPCPKAHVMDZMO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Sc1ccccc1)C
Properties
Complexity:
261  
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