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
3.0067 0.5960 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7608 -0.6935 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4786 -1.4575 0.6490 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0993 -0.6578 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -1.0985 0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4503 -0.5107 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5379 0.5418 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 1.0092 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2121 0.3967 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7754 1.1043 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4484 1.1809 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3530 -1.2417 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1635 -1.9240 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3575 -0.8317 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5168 1.0077 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 1.8437 -1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6800 0.7351 -1.0567 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