Home Sulfos 3-[(chlorosulfonyl)(ethyl)amino]propanenitrile

3-[(chlorosulfonyl)(ethyl)amino]propanenitrile

CAS No.:
1064037-92-8
Catalog Number:
AG01B8J9
Molecular Formula:
C5H9ClN2O2S
Molecular Weight:
196.6552
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Product Description
Catalog Number:
AG01B8J9
Chemical Name:
3-[(chlorosulfonyl)(ethyl)amino]propanenitrile
CAS Number:
1064037-92-8
Molecular Formula:
C5H9ClN2O2S
Molecular Weight:
196.6552
MDL Number:
MFCD16090169
IUPAC Name:
N-(2-cyanoethyl)-N-ethylsulfamoyl chloride
InChI:
InChI=1S/C5H9ClN2O2S/c1-2-8(5-3-4-7)11(6,9)10/h2-3,5H2,1H3
InChI Key:
NIFRDVDRLPZIFE-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)Cl)CCC#N
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.007g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.649g/mol
Monoisotopic Mass:
196.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties