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
   -2.8302    0.5039    1.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3415    1.0850   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3369    0.0976   -0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1725   -0.0882    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -1.2300   -0.5819 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.3606   -0.7614   -1.9578 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -2.5474   -0.7642 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055   -1.5067    0.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4839   -0.8103    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6168    0.3920    0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0854   -0.5730    0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    0.5951    1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596    1.0521    1.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346    2.0451   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865    1.2257   -0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8474   -0.8477   -1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9142    0.5286   -1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725    0.8789    0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071   -0.6011    1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501   -1.2585   -0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869    0.8993    1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    0.9211    0.8948 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