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
-3.1004 -0.4193 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5367 0.4812 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3179 -0.0344 -1.1761 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.4287 0.8746 -2.3658 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6283 -1.4470 -1.5830 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2836 0.0273 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8035 -1.0759 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0591 -1.0616 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8589 0.0756 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3335 1.1731 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0749 1.1540 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8372 -0.0968 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8290 -1.4654 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7861 1.5290 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1632 -1.9726 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4654 -1.9387 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8349 0.0965 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9267 2.0739 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6606 2.0265 -1.0583 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