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
    3.3412   -0.0747   -0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597    0.4759    0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761   -0.1379    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753    0.2260   -0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365   -0.4846   -0.7670 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.1023   -1.9832   -0.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8161    0.0111   -2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933    0.0704    0.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4896   -0.0642    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2622    0.2978    1.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3810   -0.2920   -0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476    0.7010   -1.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0403   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    1.5711    0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706    0.1878    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.2602    1.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947   -1.2322    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609   -0.2256   -1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.3111   -0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9461   -0.4720   -0.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3261    0.1881    1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8437    0.7061    2.3458 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