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
   -3.6702   -0.1030    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5260    0.4398   -0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133   -0.2740   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    0.3465   -1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433   -0.3706   -0.7348 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.4238    0.3078   -1.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851   -1.8258   -1.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -0.1885    0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2936   -0.4398    1.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878    0.5393    1.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2460   -0.4989    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4254    0.6580    0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1476   -0.9172   -0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7233    0.3282   -1.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4515    1.5243   -0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950   -0.2077    0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497   -1.3450   -0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    1.4413   -0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4662    0.1963   -2.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601   -1.4561    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207    0.3421    1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    1.5761    1.1724 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