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
   -3.0741   -0.6054    1.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -0.0960    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543    0.7987    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1323    1.4419   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521    0.2211   -0.9061 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.0660   -0.6598   -1.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.9774   -1.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6094   -0.7413    0.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700   -1.2616    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9415   -0.5593    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0019   -1.0221    0.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3030    0.2914    1.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -1.3169    1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5975   -1.0258   -0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691    0.3770   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6742    0.1359    1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7113    1.5547    1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    2.0847    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5691    2.1711   -0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137   -2.2277   -0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8290    0.4082    0.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9377   -0.9464    0.2424 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