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
3.4381 -0.2892 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6657 0.6223 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5259 0.2306 -1.3115 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1296 0.0825 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5779 -1.1464 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 -1.2777 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7161 -0.2165 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2522 0.9966 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9796 1.1632 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3818 -1.3124 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1078 0.0061 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7040 1.6520 0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1086 -2.0019 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 -2.2443 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7178 -0.2826 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8963 1.8737 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6265 2.1439 -0.9245 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