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
   -3.6198   -0.5705   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669   -0.6436    0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5431    0.6792   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0944    0.7767    0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342   -0.3874   -0.4564 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.9422   -0.2604   -1.9344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5757   -1.7990   -0.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389   -0.1357    0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    0.5054   -0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6956   -0.0092   -0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7099   -0.6884   -1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2451   -1.3289    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0609    0.4151    0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.9140    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126   -1.4688   -0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    0.9491   -1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026    1.4464    0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274    0.6923    1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    1.8007    0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622    1.4357   -1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -0.9514   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4823    0.4565   -1.3639 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