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
3.5154 -0.3046 -0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3827 -0.6910 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4065 0.4400 0.6492 S 0 0 0 0 0 6 0 0 0 0 0 0
1.8402 1.8678 0.3471 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7097 0.2301 2.1148 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2992 0.2389 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0738 -0.6163 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4221 -0.7877 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0632 -0.1104 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2992 0.7462 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9424 0.9178 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1637 -0.9609 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8821 0.7345 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0711 -1.7129 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5681 -1.1499 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0002 -1.4641 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1310 -0.2485 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8117 1.2770 -1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3606 1.5942 -1.3038 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