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
    2.3858    1.0297    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876   -0.3956   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3058   -1.1775    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0876   -0.6300    0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8185   -0.5495   -0.9957 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.0522    0.4036   -1.8933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9679   -1.8967   -1.6392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3852    0.0887   -0.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890    0.1632    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267    1.3092    0.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1011    1.7639   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4219    1.3050    0.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649    1.1859    1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791   -0.3721   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955   -0.8419   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600   -1.1874    1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025   -2.2319    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7336   -1.2519    1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1041    0.3897    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5399   -0.7146    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8046    2.2412    0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7950    1.3691    1.8773 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