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
3.7021 -0.1402 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4104 -0.1001 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 0.3270 0.8427 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5881 -0.6066 1.9893 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5251 1.7208 1.3395 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3657 0.1523 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0362 -1.0457 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3403 -1.2254 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0415 -0.1976 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3695 0.9977 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0642 1.1823 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0754 0.0785 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4583 -0.3978 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0436 -0.3199 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4843 -1.8696 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8384 -2.1858 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0717 -0.3241 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9278 1.8132 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5514 2.1410 -0.4252 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