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
2.2631 1.0622 0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6435 -0.0661 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4675 -1.1984 -0.3099 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7899 -1.5723 -1.7147 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4782 -2.4069 0.6028 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1488 -0.5018 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5969 0.2169 -1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8623 0.7635 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6656 0.6080 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -0.1181 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9181 -0.6802 0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0392 1.7354 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2142 1.2700 0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6944 -0.3425 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0415 0.3319 -2.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2016 1.3226 -2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6688 1.0393 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8359 -0.2247 1.7823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5591 -1.2387 1.7419 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