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
3.1148 -0.4789 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7470 0.7709 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2774 1.1148 1.3523 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1951 0.4873 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9224 1.2577 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0668 0.7940 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5012 -0.4930 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8087 -1.2867 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6663 -0.7846 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -1.2996 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0211 -0.7293 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 1.5550 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 2.2587 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6245 1.4117 -1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3921 -0.8527 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1691 -2.2927 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1318 -1.4326 1.5364 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