Home Sulfos 2-methanesulfonylpropanenitrile

2-methanesulfonylpropanenitrile

CAS No.:
1249519-31-0
Catalog Number:
AG01ACUR
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
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Product Description
Catalog Number:
AG01ACUR
Chemical Name:
2-methanesulfonylpropanenitrile
CAS Number:
1249519-31-0
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
MDL Number:
MFCD16079496
IUPAC Name:
2-methylsulfonylpropanenitrile
InChI:
InChI=1S/C4H7NO2S/c1-4(3-5)8(2,6)7/h4H,1-2H3
InChI Key:
ATLQGSIGVHOJKS-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)C)C#N
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.165g/mol
Monoisotopic Mass:
133.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties