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
3.4668 -0.3970 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 0.2198 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 -0.6493 -1.2184 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1685 -0.2615 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7009 -1.0344 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9796 -0.7241 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7035 0.3343 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1640 1.1013 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8890 0.7843 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 0.1015 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2814 -1.4456 0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9317 1.2695 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1709 -1.8696 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4283 -1.3143 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7100 0.5726 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7272 1.9254 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4737 1.3871 -1.9059 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