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
   -3.4225    0.5983    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914    0.5632    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4114   -0.7713   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686   -0.8317   -0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814   -0.5592    1.1500 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.4345   -1.4349    2.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7154    0.8902    1.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738   -0.7062    0.8323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    0.0981   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2422    0.6426   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315    1.6492    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8385    0.0126    0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7252    0.1229   -0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025    1.3557   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317    0.7123    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792   -1.5997    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460   -0.8968   -1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536   -1.8150   -0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357   -0.0711   -1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    0.2982   -1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    0.4717    0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6369    1.2713   -0.8853 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