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
2.9386 -0.7522 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8362 0.4784 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4543 1.0326 -1.2320 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1117 0.5481 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6465 -0.6614 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8558 -1.0497 -0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5666 -0.2966 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0073 0.9070 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7885 1.3427 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1439 -1.4758 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7904 -1.0779 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6567 1.1625 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1011 -1.2847 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2819 -1.9975 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5255 -0.6392 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5703 1.4894 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 2.2742 0.6790 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