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
3.2394 0.6444 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7406 -0.4309 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6026 -0.2045 -1.2386 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0956 -0.1317 -0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6300 1.0875 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9398 1.1295 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6822 -0.0223 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1241 -1.2333 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8287 -1.2867 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9734 1.6144 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9204 0.5519 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9938 -1.4446 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0153 1.9707 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3161 2.1018 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7141 0.0584 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7188 -2.1415 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 -2.2630 -0.7928 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