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
3.6411 0.7804 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6187 0.2233 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5373 -0.8557 0.9675 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1524 -0.5080 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1462 -1.2660 1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4529 -1.0002 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7663 -0.0286 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7610 0.7062 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4472 0.4590 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2842 1.4330 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8313 0.5980 1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 0.3841 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8800 -2.0271 1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2212 -1.5848 1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8104 0.1666 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0116 1.4639 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3316 1.0560 -0.9109 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