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
3.9102 -0.1638 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6491 0.1064 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4890 0.3600 -0.8326 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1978 0.1518 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 1.2390 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 1.1056 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8662 -0.1068 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1655 -1.1920 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8551 -1.0581 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2350 -0.2304 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6162 -0.3182 1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2922 0.1799 1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4101 2.2175 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7490 1.9697 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9002 -0.1853 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6357 -2.1608 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3031 -1.9145 -0.7126 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