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
3.5969 -0.2065 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3988 -0.5617 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2706 0.6485 0.9210 S 0 0 0 0 0 6 0 0 0 0 0 0
1.3694 0.8003 2.4171 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6096 2.0035 0.3337 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 0.2742 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8635 0.7161 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1670 0.4074 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9288 -0.3440 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4672 -0.7990 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1643 -0.4818 1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8745 0.8302 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3482 -0.9163 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1379 -1.6132 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2853 1.3141 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5409 0.7748 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9440 -0.5802 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 -1.4076 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8204 -0.8588 2.1944 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