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
   -3.3911    0.1910    1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -0.3499    0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794    0.4966   -0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211    0.0565   -1.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356    0.0790   -0.0556 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.7133   -0.9572    1.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157    1.4180    0.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919   -0.3802   -0.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5072   -0.5194   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6923   -0.1926   -0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2162   -0.4503    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4043    0.1188    2.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5089    1.2378    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3368   -0.2635    1.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2012   -1.4090    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179    0.5086   -1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170    1.5626   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    0.7856   -1.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413   -0.9120   -1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -0.8936    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7711    0.1759   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5689   -0.3026    0.1759 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