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
3.6065 -0.0174 0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3007 0.1223 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 -0.2051 -0.6913 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7467 -1.6091 -1.1196 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8088 0.8036 -1.7458 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3049 -0.0832 -0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9312 1.1058 -0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3105 1.2539 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0420 0.1487 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4346 -1.0587 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 -1.1714 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1067 -0.3279 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1910 0.1762 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8106 0.4402 1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3712 2.0002 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 2.2179 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1047 0.2638 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0187 -1.9043 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6156 -2.1557 0.0763 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