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
   -3.7928   -0.3247    0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115    0.0112   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885   -0.2691    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2013    0.1203   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   -0.2136   -0.0391 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.3629    0.5807    1.2328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.6669    0.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450    0.1884   -1.0627 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9324    0.1067   -0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2448    0.8298    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1267   -1.3475    0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -0.2566    1.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6065    0.4084    0.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6001   -0.5964   -1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    1.0940   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579   -1.3546    0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1733    0.2703    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371    1.2102   -1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3133   -0.4878   -1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6700   -0.5511   -0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2235    0.7621    0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    1.4860    0.9728 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