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
   -2.5050    1.2161    0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6396   -0.2727    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2618   -0.9183    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4067   -0.4155   -0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2323   -1.0688   -0.5265 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.9967   -0.4820   -1.6794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566   -2.5740   -0.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0443   -0.6603    0.8935 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2780   -0.0282    0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3795    1.2744    0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398    1.4846    0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3408    1.6561    1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5845    1.6779   -0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070   -0.5979    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0533   -0.5790   -0.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4188   -2.0097    0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.6997    1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653   -0.7377   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.6790   -0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1740   -0.6073    1.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443    1.7586    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.9047    0.5150 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