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
   -3.7013    0.0210   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282    0.4225   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212   -0.1923    0.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858    0.2281    0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8649   -0.2095   -0.5290 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.8025   -1.6504   -0.8659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    0.5697   -1.7164 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547    0.3419   -0.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5692   -0.3955   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602    0.1194   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8275   -1.0745   -0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2108    0.4160    0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1368    0.5610   -1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145    0.0344   -1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1614    1.5051   -0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791    0.1374    1.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212   -1.3078    0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4052   -0.1400    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431    1.3381    0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5158   -1.3775   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708   -0.4359   -0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    1.0888    0.1068 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