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
   -3.4175    0.3838    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3289    1.0744   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9490    0.6771   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6745   -0.7815   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9802   -1.0999    0.3953 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.3428   -2.5486    0.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415   -0.6674    1.8236 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185   -0.2104   -0.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626   -0.4571   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3400    0.5262   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3840    0.6624   -0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2770   -0.7078    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4864    0.8110    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286    2.1696   -0.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4675    0.9225   -1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    1.2173   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    0.9588    1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154   -1.1859   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515   -1.3543    0.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7964   -1.4645   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0831    1.5592   -0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3632    0.3156    0.0597 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