Home Nitriles 2-(phenylsulfanyl)butanenitrile

2-(phenylsulfanyl)butanenitrile

CAS No.:
36638-49-0
Catalog Number:
AG01EJRZ
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
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Product Description
Catalog Number:
AG01EJRZ
Chemical Name:
2-(phenylsulfanyl)butanenitrile
CAS Number:
36638-49-0
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD00969653
IUPAC Name:
2-phenylsulfanylbutanenitrile
InChI:
InChI=1S/C10H11NS/c1-2-9(8-11)12-10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChI Key:
KTOUGRNTKHHTJS-UHFFFAOYSA-N
SMILES:
CCC(Sc1ccccc1)C#N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties