Home Nitriles 3-(ethylsulfanyl)benzonitrile

3-(ethylsulfanyl)benzonitrile

CAS No.:
89407-24-9
Catalog Number:
AG01BHP5
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
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Product Description
Catalog Number:
AG01BHP5
Chemical Name:
3-(ethylsulfanyl)benzonitrile
CAS Number:
89407-24-9
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD22483828
IUPAC Name:
3-ethylsulfanylbenzonitrile
InChI:
InChI=1S/C9H9NS/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2H2,1H3
InChI Key:
ABRLDTZKGXSRMJ-UHFFFAOYSA-N
SMILES:
CCSc1cccc(c1)C#N
Properties
Complexity:
158  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties