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
3.5842 0.3259 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6950 -0.3066 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6636 0.5650 -0.9150 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 0.2545 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7395 -0.7938 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0809 -1.0463 -1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 -0.2429 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1814 0.8122 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8309 1.0451 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7060 1.3820 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1932 -0.2344 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5715 -1.3800 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1462 -1.4266 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5882 -1.8727 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8725 -0.4080 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 1.4624 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3366 1.8641 0.7055 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