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
   -3.3222   -0.0650    0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3288    1.0366   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0612    0.3515   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4788   -0.5223    0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089   -1.2612   -0.0816 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.6460   -2.1350    0.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929   -2.1038   -1.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    0.0268   -0.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2754    0.1177    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2441    0.8116   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2534   -0.8238   -0.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3445    0.3831    0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182   -0.4352    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548    1.6060   -0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1230    1.7081    0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2798   -0.3156   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2772    1.0597   -0.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940   -1.3213    0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187    0.0357    1.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4396   -0.3757    1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0837    1.3066   -1.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251    0.9154   -0.0086 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