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
3.4605 0.8716 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3815 0.3357 0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3727 -0.8228 -0.2962 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7314 -0.7350 -1.7689 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 -2.2177 0.2192 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3242 -0.3910 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0432 -0.8890 0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3776 -0.5775 1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9665 0.2437 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2341 0.7354 -0.9281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8986 0.4274 -1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0524 1.5814 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7710 0.6107 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0937 0.6166 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6083 -1.5396 1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9522 -0.9714 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0260 0.5004 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7152 1.3903 -1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3457 0.8309 -1.9411 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