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
    2.8498    1.3243    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    0.1208    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -0.0264   -0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053   -1.1823   -0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366   -1.0903    1.0118 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.1297   -1.1938    2.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -2.2304    1.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8865    0.3330    1.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0514    0.3561    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874    0.5392   -0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559    1.4768   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4538    2.2451    0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8507    1.0966    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4706    0.2572    1.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436   -0.8206    0.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4732   -0.1426   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3340    0.9016   -0.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727   -2.0925   -0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -1.3331   -1.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332    0.2291    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8779    0.5606   -1.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0225    0.6715   -1.4552 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