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
   -2.5776    1.4873   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734    0.3603    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2580   -0.5995   -0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920   -1.7330   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9231   -1.1835    0.8597 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.5295   -0.3883    2.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -2.4043    1.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058   -0.3048   -0.2388 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.1726    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297    1.2512    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6592    1.2053   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150    2.4043    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480    1.7027   -1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490   -0.1880    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8764    0.8790    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -0.0108   -1.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291   -0.9414   -1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809   -2.3266   -0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1239   -2.3983    0.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0200   -0.3668   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410    1.7700    1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890    1.6128    1.3063 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