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
3.4716 0.2739 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4900 -0.5737 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6617 -0.5482 -0.9861 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0602 -0.1938 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 -1.2371 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2611 -0.9998 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7257 0.2848 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8390 1.3263 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4961 1.1128 -0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7873 0.9929 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9831 0.2677 1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1564 -1.3046 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5255 -2.2565 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9296 -1.8593 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7798 0.4388 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1909 2.3468 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1888 1.9290 -0.8537 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