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
-3.1835 0.7602 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6972 -0.4225 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5157 -0.5120 1.3814 S 0 0 0 0 0 0 0 0 0 0 0 0
0.1143 -0.2717 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 1.0101 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9191 1.1294 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6454 0.0401 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0642 -1.2100 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8030 -1.3895 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8680 1.6393 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9020 0.8936 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0384 -1.2848 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0760 1.8557 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3440 2.1207 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6304 0.1026 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5980 -2.1018 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3507 -2.3597 0.3582 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