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
   -3.0861    1.3191    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417    0.5775    0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6014    1.5081    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579    0.8758    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923   -0.3818   -1.1097 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.0034   -1.5105   -0.9312 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7952    0.1981   -2.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5490   -1.0639   -1.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8687   -2.1598   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3098   -2.4187    0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.5330    0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2865    1.8283    1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186    1.9805   -0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8198   -0.1505   -0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    0.0287    1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476    2.3149    0.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055    1.9727   -0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4940    1.7078   -0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978    0.5384    1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171   -2.8384   -0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493   -1.7862    1.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -3.2998    1.4442 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