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
3.6666 0.1457 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3985 0.4967 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2230 -0.6854 -0.6927 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5557 -2.0469 -0.0975 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3505 -0.8752 -2.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4014 -0.2222 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 -0.6566 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1098 -0.3625 1.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9458 0.3901 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4941 0.8298 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2264 0.5280 -1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9485 -0.8639 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4515 0.8207 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1431 1.5179 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2221 -1.2622 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4853 -0.6923 2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9528 0.6411 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1775 1.4326 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8623 0.8647 -2.0032 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