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
3.1307 0.4112 -0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5893 -0.7770 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -1.3665 0.6208 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1500 -0.5684 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0313 -1.2138 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2300 -0.5950 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5206 0.6260 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6258 1.2502 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4235 0.6392 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8947 1.0107 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8423 0.7792 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8309 -1.3520 -1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7593 -2.1719 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9469 -1.0510 -1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4609 1.0900 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8659 2.1993 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3113 1.0899 1.4867 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