Home Nitriles 4-(Methylthio)butanenitrile

4-(Methylthio)butanenitrile

CAS No.:
59121-24-3
Catalog Number:
AG00EEVN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EEVN
Chemical Name:
4-(Methylthio)butanenitrile
CAS Number:
59121-24-3
MDL Number:
MFCD09841014
IUPAC Name:
4-methylsulfanylbutanenitrile
InChI:
InChI=1S/C5H9NS/c1-7-5-3-2-4-6/h2-3,5H2,1H3
InChI Key:
JPWPMBYFDCHLKL-UHFFFAOYSA-N
Properties
Complexity:
71.4  
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:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Transcript and protein profiling identify candidate gene sets of potential adaptive significance in New Zealand Pachycladon. BMC evolutionary biology 20100101
Properties