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
   -3.2188    0.7186    0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8388    0.1931   -0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -0.4987   -0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3933    0.4073   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643   -0.6234   -0.0107 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.7640   -1.7812    0.9104 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1940   -1.1833   -1.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.2139    0.4745 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6746   -0.3783    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7214    0.3167   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889   -0.0585    1.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338    0.8571    0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6895    1.6832    0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5788   -0.5534   -0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8016    1.0163   -1.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -1.3575    0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2528   -0.8026   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786    0.7962    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657    1.2984   -0.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7459   -1.4662    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6479    1.3763   -0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6518   -0.1737   -0.3636 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