Home Sulfos 2-chloro-3-methanesulfonylpropanenitrile

2-chloro-3-methanesulfonylpropanenitrile

CAS No.:
1854-80-4
Catalog Number:
AG01A6MT
Molecular Formula:
C4H6ClNO2S
Molecular Weight:
167.6139
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Product Description
Catalog Number:
AG01A6MT
Chemical Name:
2-chloro-3-methanesulfonylpropanenitrile
CAS Number:
1854-80-4
Molecular Formula:
C4H6ClNO2S
Molecular Weight:
167.6139
MDL Number:
MFCD20622560
IUPAC Name:
2-chloro-3-methylsulfonylpropanenitrile
InChI:
InChI=1S/C4H6ClNO2S/c1-9(7,8)3-4(5)2-6/h4H,3H2,1H3
InChI Key:
VIIRIWUPKFAIDK-UHFFFAOYSA-N
SMILES:
ClC(CS(=O)(=O)C)C#N
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.981g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.607g/mol
Monoisotopic Mass:
166.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties