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
2.0272 0.1305 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9778 -0.6498 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3307 -0.2301 -0.6020 S 0 0 0 0 0 6 0 0 0 0 0 0
0.0614 0.7765 -1.6349 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8288 -1.4509 -1.3636 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7184 0.4099 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1333 1.1035 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8392 -0.1369 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9431 -1.5906 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4936 1.3616 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0866 -0.3200 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 0.5963 -0.4461 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