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
   -3.1946    0.8241   -0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8514   -0.2897    0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389   -0.9405    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3789    0.0289    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -0.7528   -0.1776 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.1787   -1.4470   -1.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263   -1.8016    0.8736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    0.4244   -0.0574 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7255    0.1339   -0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5663    1.1036   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1691    0.6413   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    0.9784   -1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3885    1.7623    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405   -1.0635    0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067    0.0474    1.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642   -1.3963   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215   -1.7866    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3238    0.4975    1.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841    0.8476   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1012   -0.8671   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6313    0.9329   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2334    2.1229   -0.6173 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