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
    3.4265    0.3383   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256    0.0858   -0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0553    0.5615    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818    0.3976    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8498   -1.2721   -0.2685 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.5949   -2.1673    0.9016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1032   -1.8133   -1.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002   -1.2955   -0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3109   -0.2079   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290    0.1119    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062    1.4350    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2087   -0.1020   -0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095   -0.0891    0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829   -1.0015   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    0.7028   -1.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.0451    1.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403    1.6328    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953    0.7832    0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6721    0.9959   -0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.3839   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -0.4749    1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2549    0.9495    1.0492 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