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
   -3.3913    0.9282    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5761   -0.3190    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    0.1445   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3673   -1.1113   -0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2927   -0.7443   -0.9243 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.3775   -0.0022   -2.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0183   -2.0486   -1.0908 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0205    0.1323    0.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3986    0.1028    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0909    0.9275   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4341    0.6561    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2598    1.5979   -0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173    1.4378    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0154   -0.9171   -0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -0.9102    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495    0.7342    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216    0.8126   -1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167   -1.7055   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -1.6632    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565   -0.5802    1.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480    1.6260   -1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    0.9017   -0.2655 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