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
1.9503 0.2405 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9590 -0.5188 0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4557 -0.6909 -0.4130 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.0249 -0.5300 -1.8552 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0917 -2.0250 -0.2892 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5911 0.6142 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9339 0.7810 -0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 0.3459 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0195 -1.0323 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4829 0.2554 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9503 1.1501 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0936 1.4098 0.6047 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