Home Nitriles n-(Butylthio)acetonitrile

n-(Butylthio)acetonitrile

CAS No.:
71037-08-6
Catalog Number:
AG003SE3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003SE3
Chemical Name:
n-(Butylthio)acetonitrile
CAS Number:
71037-08-6
MDL Number:
MFCD00041458
IUPAC Name:
2-butylsulfanylacetonitrile
InChI:
InChI=1S/C6H11NS/c1-2-3-5-8-6-4-7/h2-3,5-6H2,1H3
InChI Key:
LRMUBLYDYGZCDR-UHFFFAOYSA-N
Properties
Complexity:
81.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.061g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.221g/mol
Monoisotopic Mass:
129.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties