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
2.8423 0.0772 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5833 -1.0789 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0932 -1.9680 -0.1644 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 -0.7699 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5401 -0.1864 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 0.7424 1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2992 1.0862 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9731 0.4940 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 -0.4309 -1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1333 0.4842 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7548 0.6552 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2669 -1.5120 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 -0.4759 2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8199 1.2036 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1064 1.8154 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5348 0.7598 -1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6939 -0.8960 -2.0699 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