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
   -3.8651    0.3997    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859    0.9388    0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4564    0.0941    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189    0.4885    0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136   -0.5877    0.1409 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.1364   -0.5296   -1.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8679   -2.0179    0.5297 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707   -0.1889    0.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270   -0.9318    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8719   -0.3993   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9192    0.6927   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7323    0.7872    0.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8677   -0.7293    0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532    1.9732    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507    0.9723    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308   -0.9889    0.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4229    0.2523   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1050    1.5139    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0635    0.5706    1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725   -1.9912   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532   -0.9928   -0.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0487    0.6740    0.0146 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