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
3.5874 0.3213 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 -0.5217 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5636 -0.1266 0.9174 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1450 -0.0386 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6443 1.1610 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9437 1.2161 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7560 0.0891 -0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2470 -1.1124 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9476 -1.1446 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7306 1.2465 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2278 0.0767 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4892 -1.4504 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0065 2.0605 -0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3455 2.1646 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7892 0.1594 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8834 -2.0079 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5245 -2.0931 0.6778 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