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
   -2.9094   -0.7498    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9025   -0.9100   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3428    0.4279   -0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6523    1.1670    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232    0.3059    0.9215 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.3563   -0.9469    1.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658    1.2517    1.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104   -0.0230   -0.2481 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973   -0.2836    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239    0.0826   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207    0.1683    0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031   -1.5806    0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4127   -0.5603    1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -1.5643   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4610   -1.3660   -1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2355    1.0407   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7496    0.3071   -1.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734    2.1189   -0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3681    1.4189    1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356   -0.7956    1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0519    0.5953   -1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2458   -0.1040   -0.3446 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