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
3.1332 0.8215 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7445 0.5020 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7277 -0.9512 0.7298 S 0 0 0 0 0 0 0 0 0 0 0 0
0.0034 -0.6122 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8569 -0.1578 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1825 0.0970 1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7173 -0.0869 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8456 -0.5421 -1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5179 -0.8008 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8360 0.2038 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7410 1.6876 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0605 1.1437 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4847 0.0047 2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8592 0.4580 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7568 0.1124 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1805 -0.7175 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1552 -1.1621 -1.6481 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