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 0.2754 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4113 -0.1020 0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2143 0.6618 -0.6614 S 0 0 0 0 0 6 0 0 0 0 0 0
1.3024 2.1502 -0.4201 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4998 0.4360 -2.1112 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3982 0.1632 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9672 -0.9520 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2407 -1.3608 -0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9563 -0.6516 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3782 0.4547 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1018 0.8675 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4657 -0.1678 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 1.0625 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1269 -0.8721 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4362 -1.5281 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6525 -2.2329 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9680 -0.9695 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9315 1.0162 1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6619 1.7492 1.2092 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