Monomers

Ethenyl butane-1-sulfonate

Identifiers

IUPAC name
ethenyl butane-1-sulfonate
InchI
InChI=1S/C6H12O3S/c1-3-5-6-10(7,8)9-4-2/h4H,2-3,5-6H2,1H3
InchI Key
RLBAVXBAWIWOCS-UHFFFAOYSA-N
SMILES
CCCCS(=O)(=O)OC=C
Canonical SMILES
CCCCS(=O)(=O)OC=C
Isomeric SMILES
CCCCS(=O)(=O)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12O3S
Heavy Atom Count
10
Molecular Weight
164.226
Exact Molecular Weight
164.0507
Valence Electrons
60
Radical Electrons
0
tPSA
43.37
MolLogP
1.2764
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
   -3.3930    0.0254   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8627    0.0919   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2562    0.0637    0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2194    0.1772    0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -1.1232   -0.0007 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.5805   -1.1352   -1.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889   -2.4647    0.5825 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -0.9424    0.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2665   -0.1581   -0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938    1.0815   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7273   -0.9830   -0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7009    0.8112    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627    0.3132   -1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6029    1.0458   -0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157   -0.8091   -0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5613   -0.9135    1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377    0.8236    1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6194    0.2468    1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5348    1.1890    0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131   -0.5830   -1.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4711    1.5518    0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    1.6913   -1.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  3
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers