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
3.7567 0.2272 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6492 0.3087 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2900 1.3453 0.5239 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 0.5368 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -0.2713 1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0795 -0.9032 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7019 -0.6972 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1532 0.1063 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 0.7180 -0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5580 -0.4005 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8657 0.7832 1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5076 -0.2411 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3175 -0.3893 2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5109 -1.5316 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6475 -1.1879 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6715 0.2431 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4618 1.3535 -1.7026 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