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
   -3.4116    0.4816    0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2284    0.8538    0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655   -0.2290    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0267    0.2257   -0.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -0.9430   -0.8883 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.8143   -2.2105   -1.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.3688   -1.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9629   -1.2546    0.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762   -0.9606    0.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711    0.3011    0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253   -0.1430    1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2204    0.0150    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8339    1.4246    1.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6260    0.9762   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146    1.8188    0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279   -1.1460   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -0.3944    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344    0.3435   -1.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281    1.2090   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0106   -1.7065    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858    1.1058    0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6785    0.6013    1.2113 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