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
3.7900 0.0119 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5356 0.4237 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 0.5988 -1.1231 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2258 0.1896 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6714 -1.1124 -0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9546 -1.3715 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7551 -0.3651 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2774 0.9364 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9974 1.2099 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1294 -0.2208 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4346 -0.0821 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1570 0.6671 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.8878 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3320 -2.3898 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7497 -0.5528 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8895 1.7180 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5948 2.2269 -0.0232 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