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
   -2.8911    0.8026   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193   -0.6958   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004   -0.9919    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2258   -0.4498   -0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -0.8880    0.4107 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.3563   -2.3755    0.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368   -0.2100    1.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5978   -0.2860   -0.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112    0.4101    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450    1.7129    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9664    1.0906   -0.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679    1.3079    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3938    1.1883   -1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5130   -1.0553    0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8197   -1.1662   -1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891   -0.4825    1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351   -2.0597    0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720   -0.8283   -1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990    0.6488   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3546   -0.1332    0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955    2.2093   -0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344    2.2517    0.5672 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