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
   -3.3396    0.1576   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264   -0.9862    0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217   -0.5025    0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    0.1667   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1223    0.7833    0.1752 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.9984    1.8434    1.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380    1.3691   -1.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1179   -0.4510    0.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4646   -0.2108    1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970    0.1980    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243    0.0021   -0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930    1.1440   -0.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2510    0.1720   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1286   -1.5471    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -1.7019   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779   -1.4083    1.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4263    0.1699    1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -0.5711   -1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948    1.0022   -0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8512   -0.3705    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378    0.3717    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.3693   -0.9330 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