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
3.3222 0.4077 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6131 -0.6495 0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2556 -0.5341 1.7250 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2301 -0.2254 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6537 1.0752 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7923 1.3276 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5312 0.2578 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1148 -1.0471 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9767 -1.2894 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0973 1.3568 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1421 0.3421 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8424 -1.5961 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0822 1.9200 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1097 2.3525 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4368 0.4296 -1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7201 -1.8456 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 -2.2820 0.5614 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