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
-3.7418 0.0982 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 0.6804 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 -0.0423 -0.9438 S 0 0 0 0 0 0 0 0 0 0 0 0
0.1562 -0.1143 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6545 -1.2137 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9688 -1.3147 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7977 -0.2416 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3236 0.8680 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0062 0.9525 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0889 -0.8164 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3846 0.5325 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2834 1.5936 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0253 -2.0176 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3321 -2.1969 1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8278 -0.3044 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9695 1.7082 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6413 1.8286 -1.2531 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