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
3.3682 -0.0807 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7439 -0.1337 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4913 1.0355 -0.9681 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1311 0.4914 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3289 -0.7052 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6026 -1.1168 0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7048 -0.3256 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5004 0.8693 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2252 1.2796 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1051 0.7036 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1258 -0.8090 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 -0.9239 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5500 -1.3012 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7183 -2.0662 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7060 -0.6338 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3726 1.4904 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1151 2.2263 -1.2537 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