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
3.2475 0.5204 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4379 -0.5201 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2992 -0.7872 -0.9242 S 0 0 0 0 0 6 0 0 0 0 0 0
1.1955 -2.2566 -1.2301 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7971 -0.0813 -2.1488 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3065 -0.2273 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1569 -1.1199 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4256 -0.7331 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8665 0.5615 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9834 1.4211 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7196 1.0558 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1962 1.1968 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9369 0.6617 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4965 -1.1976 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8664 -2.1515 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1141 -1.4271 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8472 0.9113 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2967 2.4357 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0240 1.7374 -1.2102 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