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
-3.6925 0.3657 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4117 0.2189 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2610 -0.1226 1.0778 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.5578 -1.4207 1.7769 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4349 0.9667 2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3710 -0.1162 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1393 1.0307 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4299 1.0512 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 -0.1019 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2308 -1.2629 -0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9392 -1.2731 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0256 0.2769 1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4403 0.5804 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0809 0.3103 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6831 1.9428 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9989 1.9880 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9978 -0.0705 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7118 -2.1538 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4142 -2.2099 -0.0598 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