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
   -3.3643    0.8604    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    0.4527   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315   -0.2637    0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827   -0.7501   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1219    0.5586   -0.6395 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.4868    1.1811   -1.8510 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    1.5610    0.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107   -0.1094   -1.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2559   -0.9594   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267   -0.4334    0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9073    1.6355   -0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1415    1.1363    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0116   -0.0515    0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673   -0.1896   -1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6145    1.4247   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8187   -1.1409    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1240    0.3960    1.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049   -1.5168   -0.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080   -1.2690    0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2809   -2.0424   -0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300   -1.1089    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7763    0.6290    0.9101 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