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
3.6357 -0.2596 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5567 0.4618 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5541 0.0166 -1.1227 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1386 -0.0125 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9042 1.1472 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2179 1.1042 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7476 -0.0498 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9683 -1.2011 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6654 -1.1874 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8772 -1.0782 -0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2603 -0.0215 1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2741 1.3127 0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4789 2.0714 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8063 2.0307 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7828 -0.0853 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3709 -2.1353 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 -2.1138 -0.0119 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