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
0.1987 1.4863 -2.8144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0017 1.3006 -2.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2661 1.6149 -0.5596 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.4596 0.3711 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8403 0.5188 0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4312 -0.4724 1.6487 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7119 -1.5827 1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5890 -1.7576 1.5473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1738 -0.7599 0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0345 1.8294 -2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4318 1.3164 -3.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8056 0.9633 -2.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3840 1.3987 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -0.3642 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1720 -2.3593 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1664 -2.6383 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1922 -0.8651 0.4246 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