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
3.4714 0.1865 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7161 0.3204 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 1.4014 -0.1399 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 0.5475 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3036 -0.8274 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5320 -1.4375 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7002 -0.7078 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5876 0.6643 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3763 1.3168 -0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3397 -0.4752 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2803 0.7253 1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9735 -0.2462 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6325 -1.3988 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5611 -2.5223 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6474 -1.2232 -0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4846 1.2628 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3251 2.4135 -0.0959 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