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
3.0635 0.6751 -0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 0.1246 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3309 -1.1138 0.2446 S 0 0 0 0 0 6 0 0 0 0 0 0
1.4009 -1.9729 1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5354 -1.9765 -0.9726 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2590 -0.4446 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8442 -0.1570 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1051 0.3749 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 0.6340 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2385 0.3487 1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9743 -0.1846 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8238 1.4382 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6960 0.3503 -1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9081 0.4223 1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3269 -0.3409 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5234 0.5836 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8398 1.0640 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8291 0.5647 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5665 -0.3903 2.3110 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