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
   -2.1909    1.0119   -0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3536    0.0369    0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970   -0.3985    0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2283   -1.0634   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3637   -1.5884    0.3893 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.0843   -2.2603   -0.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556   -2.5951    1.5032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203   -0.3116    0.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.5551    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    1.5054   -0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488    0.4663   -1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3947    1.7390   -0.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384    1.5466   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0243   -0.7965    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8370    0.6146    1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397    0.5360    1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597   -1.0095    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -0.3468   -0.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7534   -1.9419   -0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    0.4725   -0.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    1.6094   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617    2.2182   -1.1973 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