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
   -3.8570   -0.4677   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7111    0.5383   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -0.2682   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490    0.7011   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -0.2623   -0.1517 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.2492   -1.0752   -1.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182   -1.2151    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282    0.6433   -0.0689 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    0.0019    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008    0.2906   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7912    0.0788    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8984   -0.9245   -1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793   -1.2490    0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8092    1.0217    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784    1.3145   -0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237   -0.9381    0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3804   -0.9019   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3537    1.4471   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259    1.1605    0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533   -0.7041    1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    1.0061   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383   -0.1980   -0.2613 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