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
3.6227 0.8452 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6312 -0.0277 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5304 -0.3421 1.1394 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1601 -0.2900 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8165 0.9149 0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1338 0.9765 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7819 -0.1461 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0973 -1.3422 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7954 -1.4245 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8236 1.4352 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2703 1.0165 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4771 -0.5833 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3119 1.7958 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6598 1.9127 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8005 -0.1427 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 -2.2559 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2433 -2.3425 0.0870 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