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
3.2136 0.3505 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8073 -0.1705 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5052 -1.3832 -0.4529 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1025 -0.6382 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 -1.4347 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4989 -0.9184 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6759 0.4439 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5674 1.2634 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2879 0.7266 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7528 0.0387 1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0164 1.1003 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2681 0.1446 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0753 -2.5233 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3382 -1.5950 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6756 0.8850 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6753 2.3193 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5604 1.3911 -0.2565 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