Monomers
Phenyl vinyl sulfide
Identifiers
IUPAC name
ethenylsulfanylbenzene
InchI
InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
GMPDOIGGGXSAPL-UHFFFAOYSA-N
SMILES
C=CSc1ccccc1
Canonical SMILES
C=CSC1=CC=CC=C1
Isomeric SMILES
C=CSC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H8S
Heavy Atom Count
9
Molecular Weight
136.219
Exact Molecular Weight
136.0347
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.9222
H Bond Acceptors
1
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
17 17 0 0 0 0 0 0 0 0999 V2000
3.3378 0.0896 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6096 -0.9583 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -0.7409 -1.5789 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2340 -0.2087 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0911 -1.1444 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2474 -0.7917 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5364 0.5304 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6682 1.4892 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5259 1.1158 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1096 1.0594 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1777 -0.0266 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8541 -1.9485 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 -2.1998 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9304 -1.5291 0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4158 0.8759 1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9040 2.5320 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1530 1.8559 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers