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
   -3.3180   -0.1912    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3776    0.5213    1.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457    0.6405    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867   -0.7710    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9757   -0.6387   -0.8392 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.4429   -2.0317   -1.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298    0.1359   -2.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    0.1427    0.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585   -0.1221   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762    0.8477   -0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -0.0674   -0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3857   -1.2565    0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194    0.2935    0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2974   -0.1356    1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153    1.5202    1.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955    1.1893    0.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627    1.1529   -0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393   -1.3860    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186   -1.2976   -0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8196   -1.1247   -0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    0.6915   -0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9527    1.8871   -0.5448 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