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
   -3.6655    0.2940   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    0.1499   -0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605   -0.7999    0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1262   -1.0522    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    0.3711    0.0399 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.4889    1.2805   -1.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046    1.1474    1.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870   -0.1226   -0.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    0.7007   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7641    0.1433   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2919    0.7713   -0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0598   -0.7179    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.8716    0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7787    1.1693   -0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2222   -0.2754   -1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939   -1.7680    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -0.4546    1.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -1.7739    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358   -1.5561   -0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351    1.7812   -0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8719   -0.9187    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6406    0.7589    0.0464 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