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
2.9794 0.5951 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 -0.4200 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6191 -0.2983 -1.4624 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0365 -0.1428 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6019 1.0760 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8763 1.1390 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6328 0.0002 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0672 -1.2247 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7913 -1.2738 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7228 0.5471 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3634 1.4828 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4835 -1.2862 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0187 1.9572 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3271 2.0828 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6293 0.1147 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6651 -2.1024 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -2.2466 -0.7348 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