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
   -3.6117    0.6452   -0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074    1.0997   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585   -0.1261   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    0.4054    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303   -0.9132    0.6315 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.5608   -1.6298    1.8278 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244   -1.8601   -0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6410   -0.2151    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5499   -0.0406   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912   -1.0552   -0.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2838    1.5258   -0.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6369    0.2167   -1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871   -0.0788   -0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512    1.6138   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2557    1.7942    0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2523   -0.7331   -1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7885   -0.6615    0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521    0.9692   -0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0981    1.0442    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107    0.9677   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685   -2.0754   -0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825   -0.8928   -1.5026 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