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
    3.7309   -0.2299    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871    0.5944   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374   -0.2423    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1159    0.4705   -0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2659   -0.6365   -0.2542 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9104   -1.9232   -0.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -0.9309    1.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7068    0.0198   -0.8211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9009   -0.2038   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3174    0.6672    0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001   -0.7303    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032    0.3954    0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -1.0533   -0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    0.8273   -1.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449    1.5338    0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   -1.2070   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085   -0.4350    1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0904    1.3626    0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564    0.7137   -1.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4977   -1.0793   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380    1.5486    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2349    0.5385    1.2945 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