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
   -3.3102    1.1443    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5398   -0.1499    0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959    0.0720   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723   -1.2671   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314   -1.0555   -0.4781 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.9689   -2.4239   -0.4365 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096   -0.4890   -1.8739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223    0.0055    0.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016    0.4770    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488    0.7560   -0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941    1.2796   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6011    1.9825    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0645    1.1225    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -0.8393   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6032   -0.5886    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6431    0.8050    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    0.4386   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -2.0060   -0.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727   -1.6430    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157    0.6314    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9522    1.1251   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4884    0.6230   -1.5003 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