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
    3.1903    0.4973   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -0.9274   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891   -0.8769   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5272    0.0055    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274   -0.0583    0.1514 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.4788    0.3439   -1.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185   -1.4762    0.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130    0.8971    1.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    1.1156    0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1252    0.4341    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266    0.4660   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    0.9769   -1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164    0.9954    0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215   -1.3205    0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140   -1.6063   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8052   -1.9112   -0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315   -0.4559   -1.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018   -0.3389    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    1.0583    0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9615    1.8934    1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1596    0.6337   -0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6116   -0.3456   -0.4720 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