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
   -1.4066    0.4504    3.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735   -0.4649    2.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561    0.1785    0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -0.8373   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -0.1750   -1.6954 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.8809    0.9423   -2.2364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478   -1.2845   -2.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126    0.2562   -1.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    0.7667   -2.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -0.0218   -3.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.0450    4.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622    0.4953    3.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283    1.4785    3.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070   -0.7752    1.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8058   -1.3774    2.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3406    1.0535    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831    0.5120    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -1.1583   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273   -1.7329    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051    1.8006   -2.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6761    0.3255   -3.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928   -1.0716   -3.2129 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