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
   -2.5682    1.4055   -0.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210    0.6442   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -0.8219   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -1.6763    0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9989   -1.5313   -0.6683 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.9720   -2.5596   -0.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262   -1.9129   -2.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050    0.0188   -0.6801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945    0.4072   -0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1581    1.6528   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1306    0.6876   -1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    1.7438    0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2638    2.2453   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914    1.0154    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4971    0.9155   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281   -1.1818   -1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4765   -1.0066    0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874   -2.7487    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362   -1.4085    1.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568   -0.2618   -0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473    2.3618    0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1649    2.0116    0.0948 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