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
3.7629 0.1129 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6660 -0.1415 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4692 1.1379 -0.4198 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2121 0.5018 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 -0.8121 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7366 -1.2986 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7855 -0.4193 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5825 0.9160 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2589 1.3534 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9355 1.0982 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5082 -0.6696 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 -1.1312 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4005 -1.5063 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9427 -2.3375 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7900 -0.8078 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4161 1.6145 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0875 2.3890 -0.6874 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