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
   -2.2252    0.9423    0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1297   -0.5482    0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5687   -1.2848   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936   -0.7916   -0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9772   -0.9815    0.7522 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.6589   -0.0846    1.9293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0866   -2.4088    1.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689   -0.3687    0.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5222    1.0114   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6659    1.6449    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9689    1.1690   -0.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5515    1.4595    1.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2695    1.2863    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1444   -0.9668    1.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355   -0.7843    1.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -1.2294   -1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883   -2.3608    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2197   -1.3823   -1.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018    0.2808   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6441    1.5985   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323    2.7087    0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    1.0903    0.3470 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