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
    3.4304   -0.5370   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226    0.5933    0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    0.8768    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390   -0.2243    0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1972    0.3807   -0.1092 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.2088    0.8430   -1.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5544    1.5777    0.7505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3739   -0.7987    0.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6805   -0.3699    0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6754   -0.9875   -0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079   -1.3918    0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -0.8629   -1.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4578   -0.2571   -0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9326    0.4295    1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    1.5216    0.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2714    1.1716   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    1.7651    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4585   -0.5481    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -1.1240   -0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9151    0.4719    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6935   -0.6939   -0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4752   -1.8359   -0.8858 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