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
   -3.2859   -0.5114    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851    0.5288   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3637    0.3312   -0.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061    0.3681    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634    0.1280   -0.3762 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.5473    1.1516   -1.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -1.2387   -1.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436    0.1647    0.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5284   -0.5440    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840   -0.1373    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792   -0.4669    1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3029   -1.5284   -0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669   -0.2583    0.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4157    0.4845   -1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9631    1.5213   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2907   -0.5958   -1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0817    1.1618   -1.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374    1.2694    0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -0.5294    0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026   -1.4484    1.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5135    0.7848   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5214   -0.6356    0.2165 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