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
    2.9054    0.5776   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936    1.0799    0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2547   -0.0363    1.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374   -1.0073    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7664   -0.3319   -0.4462 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.3111    0.6386   -1.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4326   -1.4892   -1.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9745    0.3672    0.5218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600    0.4227    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9712   -0.6586   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6164    1.4023   -0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132   -0.2648    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    0.2454   -1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    1.8080    1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    1.6404    0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647    0.3204    2.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123   -0.6109    1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052   -1.4298   -0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1600   -1.8626    1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6778    1.3924   -0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438   -1.6299   -0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9732   -0.5736   -0.6102 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