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
-3.4755 0.2109 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6828 -0.1640 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3784 -1.3493 -0.4023 S 0 0 0 0 0 0 0 0 0 0 0 0
0.1795 -0.5820 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 0.7771 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5966 1.3289 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6389 0.4655 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5241 -0.9138 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2689 -1.4048 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3593 -0.1979 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2509 0.9320 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8223 0.2634 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5116 1.4030 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7312 2.3977 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6299 0.8539 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3936 -1.5493 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1632 -2.4711 0.0759 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