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
   -3.5004   -0.4396   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387    0.1986    0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1571    0.2181   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    0.8575    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236    0.8373    0.1163 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.3699    1.5797    0.9818 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    1.5652   -1.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8723   -0.7321   -0.2317 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532   -1.3405    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707   -0.6991    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2769   -0.9631    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9851   -1.2046   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    0.3001   -1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589   -0.3545    1.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8233    1.2639    0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256    0.8034   -0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8043   -0.8040   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255    0.2432    1.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516    1.9143    1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0363   -2.4179    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0619   -1.2159    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2611    0.3899    0.2947 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