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
3.5696 -0.1438 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6222 0.0627 -0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4340 1.3407 -0.3666 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1967 0.6120 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 -0.7553 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6332 -1.3256 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6804 -0.4649 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5469 0.9052 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 1.4338 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6408 0.4409 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3207 -0.9151 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6142 -0.5735 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4762 -1.3930 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7622 -2.4142 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6673 -0.8847 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3785 1.5715 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1417 2.5034 0.1605 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