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
3.6496 0.2230 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5706 -0.4982 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4397 0.1188 1.2597 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1939 0.0800 0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9506 -1.0566 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2163 -1.0592 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7202 0.0420 -0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9527 1.1761 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 1.1722 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8805 1.1507 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3423 -0.1354 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3979 -1.4156 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5962 -1.9368 1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8238 -1.9629 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7145 0.0246 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3583 2.0168 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0583 2.0604 -0.2347 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