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
   -3.2720   -0.1977   -0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6106   -0.3759    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998    0.3715    1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3111   -0.0876   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    0.8972    0.2084 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.8114    2.3522    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715    0.6897    1.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3533    0.4282   -0.9409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    0.1794   -0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402   -1.0639   -0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179   -0.4557   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.8959   -0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1955   -0.8152   -0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058   -1.4523    1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2835    0.0679    1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    1.4386    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734    0.2880    2.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0266   -1.1364    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694    0.1119   -1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2235    1.0033   -0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1403   -1.2381   -0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531   -1.9009   -0.7975 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