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
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
-3.8671 -0.2215 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6794 -0.0756 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3990 -1.2313 -0.0968 S 0 0 0 0 0 0 0 0 0 0 0 0
0.2283 -0.4939 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3394 -1.2746 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6293 -0.7812 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8131 0.5606 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 1.3749 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4382 0.8406 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6634 0.4805 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0554 -1.0546 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4708 0.7657 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1837 -2.3252 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 -1.4425 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7929 0.9823 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 2.4192 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3993 1.4767 0.3747 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