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
   -2.6731    0.4643   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2639   -0.8118   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6549   -0.4451    1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    0.4469    1.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -0.3355    0.1473 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.3445   -0.6913   -1.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540   -1.5645    0.8701 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    0.7090    0.0306 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    0.5159   -0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    0.3508   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9773    0.7155   -1.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236    0.3407   -1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    1.3335   -0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530   -1.4929   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2093   -1.4177    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738   -1.3735    1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210    0.0514    1.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0702    0.7774    2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7535    1.3608    0.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551    0.5031   -1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303    0.3630    0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947    0.1999   -1.1816 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