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
    2.7809    1.2395   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772    0.3674   -0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751   -0.7615    0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387   -1.7279    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1565   -1.0210    0.6269 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.1625   -2.1305    0.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.5604    2.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809    0.1959   -0.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733    1.0176   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6747    0.9528   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2504    1.6285   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582    0.6124    0.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5126    2.0939    0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486    0.0232   -1.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    1.0183   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -1.3563    0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.3705    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5012   -2.2323   -0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -2.5405    1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026    1.7381    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7467    0.2278   -1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5284    1.5853   -0.8442 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