Home Nitriles 2-(phenylsulfanyl)propanenitrile

2-(phenylsulfanyl)propanenitrile

CAS No.:
33695-43-1
Catalog Number:
AG01EJSU
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
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Product Description
Catalog Number:
AG01EJSU
Chemical Name:
2-(phenylsulfanyl)propanenitrile
CAS Number:
33695-43-1
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD16040371
IUPAC Name:
2-phenylsulfanylpropanenitrile
InChI:
InChI=1S/C9H9NS/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,1H3
InChI Key:
MVJIVFUDWSGSTG-UHFFFAOYSA-N
SMILES:
CC(Sc1ccccc1)C#N
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties