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
   -2.8672    0.6672   -0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.9555    0.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456    0.5049    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429   -0.9858    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978   -1.3934    0.4498 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.4639   -0.9186    1.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -2.8626    0.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730   -0.4713   -0.7163 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289   -0.4412   -0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    0.7012   -0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1337   -0.3995   -0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094    0.8816   -1.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7681    1.2610   -1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8783    0.4374    1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3630    2.0499    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892    0.7599    1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232    1.0715   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488   -1.2016   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3215   -1.5802    1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281   -1.3607   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8383    0.6957   -1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2937    1.6292   -0.5900 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