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
3.3552 0.8644 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6647 0.5089 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6795 -0.9883 0.6253 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0343 -0.6341 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.6472 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8212 0.9114 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7380 -0.1189 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3129 -1.3888 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9774 -1.6346 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9383 1.7617 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3339 0.2451 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7132 1.1688 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 1.4453 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1294 1.9324 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7916 0.1225 -0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0402 -2.1860 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6226 -2.6570 0.4516 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