Monomers
Phenyl vinyl sulfone
Identifiers
IUPAC name
ethenylsulfonylbenzene
InchI
InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
UJTPZISIAWDGFF-UHFFFAOYSA-N
SMILES
C=CS(=O)(=O)c1ccccc1
Canonical SMILES
C=CS(=O)(=O)C1=CC=CC=C1
Isomeric SMILES
C=CS(=O)(=O)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8O2S
Heavy Atom Count
11
Molecular Weight
168.217
Exact Molecular Weight
168.0245
Valence Electrons
58
Radical Electrons
0
tPSA
34.14
MolLogP
1.6038
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
3.6163 0.2820 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3236 0.0487 0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3230 0.5533 -0.6307 S 0 0 0 0 0 6 0 0 0 0 0 0
1.3965 2.0675 -0.7214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9277 0.0190 -1.8904 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3261 0.0890 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8359 -1.1250 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1646 -1.4514 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0127 -0.5749 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4931 0.6410 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 0.9632 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0387 0.7761 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2744 -0.0107 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8499 -0.4553 1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1617 -1.8079 -1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5030 -2.4237 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0501 -0.8208 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1958 1.2959 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8296 1.9340 0.6026 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 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers