Monomers
Methyl vinyl sulfone
Identifiers
IUPAC name
1-methylsulfonylethene
InchI
InChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3
InchI Key
WUIJTQZXUURFQU-UHFFFAOYSA-N
SMILES
C=CS(=O)(=O)C
Canonical SMILES
CS(=O)(=O)C=C
Isomeric SMILES
CS(=O)(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H6O2S
Heavy Atom Count
6
Molecular Weight
106.146
Exact Molecular Weight
106.0089
Valence Electrons
36
Radical Electrons
0
tPSA
34.14
MolLogP
0.1745
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
12 11 0 0 0 0 0 0 0 0999 V2000
-2.1231 -0.0713 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9929 -0.0862 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4118 0.6674 -0.1412 S 0 0 0 0 0 6 0 0 0 0 0 0
0.1329 1.0926 -1.5563 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7761 1.8981 0.6454 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7531 -0.5043 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2060 0.3913 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0233 -0.5311 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -0.5442 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1479 -0.7366 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5685 -0.1029 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4310 -1.4728 0.3855 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
1 7 1 0
1 8 1 0
2 9 1 0
6 10 1 0
6 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers