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
   -2.0443    1.1805   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5484   -0.1534   -1.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -1.2345   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7932   -0.9494    1.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146   -0.7336    0.8961 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.5928   -0.4128    2.2195 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4853   -1.9814    0.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.5450   -0.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4695    0.5528   -0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761    1.2871   -0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6132    1.7181   -1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421    1.8633   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7202    1.0310    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836   -0.0039   -1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2604   -0.4482   -1.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6767   -1.3547    0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3281   -2.1853   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2307   -0.0760    1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -1.8046    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6029   -0.0619   -1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4403    1.3148   -0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3218    1.9071    0.5270 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