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
    3.5401   -0.2388   -1.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862    0.1531    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698   -0.3355   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    0.1382    0.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540   -0.3452    0.7860 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.0904    0.1435    2.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024   -1.8486    0.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0941    0.2659   -0.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4165   -0.0411   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3092    0.8791   -1.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5328   -0.4298   -0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   -1.1946   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    0.5850   -1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051   -0.2565    0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583    1.2571    0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401   -1.4287   -0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311    0.1784   -1.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018    1.2363    0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139   -0.2490    1.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7277   -1.0667   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207    1.9301   -1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3503    0.6681   -1.3167 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