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
    3.5912    0.2470   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    0.8131    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174   -0.1620    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0591    0.5438    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3587   -0.5292    1.0812 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.4791    0.2439    1.7146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355   -1.6852    1.9511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -1.0150   -0.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2179   -1.1117   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9867   -0.0545   -0.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507    1.0494   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3564   -0.0061    0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3725   -0.6443   -1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6251    1.1478    1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    1.7093   -0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8944   -0.4438   -0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -1.0633    0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1794    1.5095    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3876    0.7249    2.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -2.0356   -1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5538    0.8727   -0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0357   -0.1106   -0.9142 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