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
   -3.0072    0.1256    0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826    0.7240   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2402   -0.2917   -1.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -1.3003   -0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636   -0.5513    0.8156 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.0903    0.3592    1.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723   -1.6383    1.5896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8916    0.3194   -0.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246    0.2329    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    1.1166   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4978   -0.7603    0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6263   -0.0582    1.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8346    0.8827    0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695    1.3318   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559    1.4501    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -0.7367   -1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    0.2873   -1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938   -2.0162    0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0989   -1.9146   -0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995   -0.5672    0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    1.0991   -0.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273    1.9063   -0.8875 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