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
   -3.5579    0.6640    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3786    0.5965   -0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699   -0.1299    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0264   -0.2517   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029   -1.1208    0.2236 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.4051   -0.4355    1.5278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -2.5092    0.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339   -1.3144   -0.6596 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771   -0.5717   -0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455    0.7142   -0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4508    0.9337   -0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037    1.4631    1.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6419   -0.3105    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0715    1.6145   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    0.0642   -1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6306   -1.1487    0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    0.3934    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430   -0.7892   -1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3805    0.7374   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6346   -1.0772   -0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9925    1.1953   -1.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445    1.2823   -0.5607 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