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
   -2.8574    0.9785   -1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647    0.9479   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0319   -0.1802   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195   -0.2401    1.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -1.5337    0.9066 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.2481   -2.8392    0.6962 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7681   -1.6600    2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0403   -1.3229   -0.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7901   -0.1654   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7012    0.1773    0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5391    1.8791   -1.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233    0.1080   -2.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9430    0.9803   -1.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7116    0.7234    0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684    1.9094    0.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182    0.0703   -1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047   -1.1142   -0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9235   -0.5074    1.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343    0.7438    1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208    0.4920   -1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822    1.0647    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8513   -0.5115    1.2676 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