Home Sulfos 2-(butane-1-sulfonyl)acetonitrile

2-(butane-1-sulfonyl)acetonitrile

CAS No.:
98548-92-6
Catalog Number:
AG01BD3A
Molecular Formula:
C6H11NO2S
Molecular Weight:
161.2220
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Product Description
Catalog Number:
AG01BD3A
Chemical Name:
2-(butane-1-sulfonyl)acetonitrile
CAS Number:
98548-92-6
Molecular Formula:
C6H11NO2S
Molecular Weight:
161.2220
MDL Number:
MFCD00041473
IUPAC Name:
2-butylsulfonylacetonitrile
InChI:
InChI=1S/C6H11NO2S/c1-2-3-5-10(8,9)6-4-7/h2-3,5-6H2,1H3
InChI Key:
UREFDGWWCJDFRV-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)CC#N
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.051g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.219g/mol
Monoisotopic Mass:
161.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties