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
   -2.0157    0.8767    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101    0.1408   -0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.1900   -1.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913   -1.0888   -0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558   -0.7123    0.2455 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.3347   -0.8427    1.6489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079   -1.7475    0.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.7716   -0.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    0.9643    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8539    0.2950    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0973    0.2155    1.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760    1.7747    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0048    1.2911    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3535    0.7712   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -0.8133    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1813    0.7453   -1.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7240   -2.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -2.1101   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771   -1.3228   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7787    1.7219    1.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388   -0.4602   -0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    0.4438    0.9504 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