Home Sulfos Acetonitrile, 2-(propylsulfonyl)-

Acetonitrile, 2-(propylsulfonyl)-

CAS No.:
175137-61-8
Catalog Number:
AG0020CH
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
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Product Description
Catalog Number:
AG0020CH
Chemical Name:
Acetonitrile, 2-(propylsulfonyl)-
CAS Number:
175137-61-8
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
MDL Number:
MFCD00051694
IUPAC Name:
2-propylsulfonylacetonitrile
InChI:
InChI=1S/C5H9NO2S/c1-2-4-9(7,8)5-3-6/h2,4-5H2,1H3
InChI Key:
OVGCBSNAUREBIE-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)CC#N
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties