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
   -3.4402    1.2215    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5901   -0.0263   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    0.1546    0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4219   -1.0988    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574   -1.0253    0.5792 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.3441   -0.9721    2.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285   -2.3113    0.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.2458   -0.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147    0.0800   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742    0.7193    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072    1.2914    1.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3773    1.0534   -0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9033    2.0905   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1091   -0.8699    0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -0.2142   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494    1.0286   -0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699    0.3892    1.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9541   -1.9783    0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3628   -1.1973   -1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6932   -0.5523   -1.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1327    1.3487    0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4202    0.6227   -0.2513 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