Home Nitriles 3,3'-Sulfonylbis[propanenitrile]

3,3'-Sulfonylbis[propanenitrile]

CAS No.:
3234-31-9
Catalog Number:
AG003ART
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
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Product Description
Catalog Number:
AG003ART
Chemical Name:
3,3'-Sulfonylbis[propanenitrile]
CAS Number:
3234-31-9
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD00019877
IUPAC Name:
3-(2-cyanoethylsulfonyl)propanenitrile
InChI:
InChI=1S/C6H8N2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-2,5-6H2
InChI Key:
PPHKBPXYLUBVBY-UHFFFAOYSA-N
SMILES:
N#CCCS(=O)(=O)CCC#N
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties