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
   -3.4089   -0.2525    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4497    0.8596   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0363    0.3784   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4935   -0.3355    0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689   -0.8951    0.4025 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.1409   -1.7813   -0.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -1.6245    1.6287 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547    0.4488    0.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205    0.2575   -0.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4456    0.3442   -0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0879   -1.2394   -0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3909   -0.0513   -0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6891   -0.2658    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964    1.5382    0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    1.4987   -1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9211   -0.2250   -1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096    1.2924   -0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1449   -1.1621    0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197    0.4126    1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215    0.0414   -1.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191    0.1996   -0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710    0.5609    0.7043 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