Pentanenitrile, 5-(methylsulfinyl)-


Chemical Name: Pentanenitrile, 5-(methylsulfinyl)-
CAS Number: 61121-66-2
Product Number: AG01EJR6(AGN-PC-0JSMS1)
Synonyms:
MDL No:
Molecular Formula: C6H11NOS
Molecular Weight: 145.2226

Identification/Properties


Computed Properties
Molecular Weight:
145.22g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
145.056g/mol
Monoisotopic Mass:
145.056g/mol
Topological Polar Surface Area:
60.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
135
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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