Home Nitriles 2-(ethylsulfanyl)propanenitrile

2-(ethylsulfanyl)propanenitrile

CAS No.:
36705-63-2
Catalog Number:
AG01A0ZA
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
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Product Description
Catalog Number:
AG01A0ZA
Chemical Name:
2-(ethylsulfanyl)propanenitrile
CAS Number:
36705-63-2
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
MDL Number:
MFCD16040436
IUPAC Name:
2-ethylsulfanylpropanenitrile
InChI:
InChI=1S/C5H9NS/c1-3-7-5(2)4-6/h5H,3H2,1-2H3
InChI Key:
VVOIVFPLDQYDNZ-UHFFFAOYSA-N
SMILES:
CC(C#N)SCC
Properties
Complexity:
81.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.046g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.194g/mol
Monoisotopic Mass:
115.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties