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
    3.2816    0.8641    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265    0.6808    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.7239   -0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1799   -0.9853   -0.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529   -0.7441    0.4676 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.0679    0.7108    0.8971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.6630    1.6429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -1.1015   -0.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6704   -0.3713    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6710    0.9440    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651    1.4822    1.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -0.0959    0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8406    1.4267   -0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    0.8125    1.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    1.4367   -0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308   -0.8714   -1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8883   -1.4804    0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0729   -0.4409   -1.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1416   -2.0765   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5319   -0.8204    0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8397    1.4488   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4938    1.5680    0.3485 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