Monomers
Divinyl sulfone
Identifiers
IUPAC name
1-ethenylsulfonylethene
InchI
InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2
InchI Key
AFOSIXZFDONLBT-UHFFFAOYSA-N
SMILES
C=CS(=O)(=O)C=C
Canonical SMILES
C=CS(=O)(=O)C=C
Isomeric SMILES
C=CS(=O)(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O2S
Heavy Atom Count
7
Molecular Weight
118.157
Exact Molecular Weight
118.0089
Valence Electrons
40
Radical Electrons
0
tPSA
34.14
MolLogP
0.6882
H Bond Acceptors
2
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
13 12 0 0 0 0 0 0 0 0999 V2000
-2.4998 0.4189 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3146 0.3630 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0969 -0.0148 -0.6731 S 0 0 0 0 0 6 0 0 0 0 0 0
0.6488 1.2811 -1.2512 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -0.8504 -1.8797 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3276 -0.8108 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3824 -0.1750 0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5726 0.2315 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4010 0.6498 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2642 0.5550 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2422 -1.8730 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1588 -0.6649 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 0.8896 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 2 0
3 6 1 0
6 7 2 3
1 8 1 0
1 9 1 0
2 10 1 0
6 11 1 0
7 12 1 0
7 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers