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
2.7443 0.7492 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5312 -0.3711 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -0.3785 -1.1350 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7427 0.7561 -2.0687 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4369 -1.6469 -1.9043 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2193 -0.1737 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7527 1.0912 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 1.1995 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7672 0.0843 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2005 -1.1554 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -1.2997 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2130 1.6406 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 0.7850 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0372 -1.3107 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1841 1.9750 -0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4380 2.2088 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7595 0.2005 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7724 -2.0441 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5186 -2.3101 -0.2556 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