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
3.0568 -0.3587 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7775 0.2476 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4168 -0.2867 1.5997 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1514 -0.1080 0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3006 -0.4793 1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 -0.3354 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5579 0.1545 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3894 0.5226 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 0.3838 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8897 0.0108 -1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4572 -1.2040 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4070 1.0837 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2693 -0.8653 2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4306 -0.6131 1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5015 0.2690 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4387 0.9012 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 0.6772 -1.0855 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