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
3.7465 -0.8994 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 -0.6142 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1745 -0.9671 -0.9412 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3393 -0.2357 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1377 -0.9774 0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2978 -0.3877 0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6266 0.9010 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8106 1.6317 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6479 1.0501 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5759 -0.6980 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9348 -1.3369 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 -0.1668 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8220 -1.9765 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9328 -0.9574 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5549 1.3610 0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 2.6505 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0118 1.6230 -1.3943 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