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
    3.4872    0.6954   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    0.6601   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427   -0.7113    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0771   -0.8467    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251   -0.5461   -0.8792 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.8112    0.8880   -1.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6701   -1.5150   -1.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -0.7661   -0.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2076    0.2886    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4775    0.1600    0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    1.1695    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746   -0.3255   -0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330    1.3553   -1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6994    1.3747    0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.9518   -1.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404   -1.5187   -0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0362   -0.8647    1.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205   -0.0704    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239   -1.8053    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    1.2111    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200   -0.7481    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0160    0.9636    0.9928 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