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
-3.0848 -0.0995 1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5104 0.3933 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -0.5745 -0.6663 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.5814 -2.0542 -0.3458 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7299 -0.4556 -2.1485 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2363 -0.1423 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9245 -0.7934 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2436 -0.5081 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9317 0.4384 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 1.0892 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9017 0.8107 -1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8734 -1.1426 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7642 0.4503 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7113 1.4057 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -1.5544 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7521 -1.0537 1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9579 0.6390 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7250 1.8328 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3406 1.3189 -1.9479 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