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
3.8149 0.3678 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6594 -0.2523 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4826 -0.0424 1.1639 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2057 -0.0335 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9061 -1.2200 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1985 -1.2279 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 -0.0404 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1173 1.1411 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8241 1.1399 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0539 0.9955 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5260 0.2446 -0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4072 -0.8916 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4234 -2.1579 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7800 -2.1308 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8333 -0.0445 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5921 2.0888 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2398 2.0637 0.2550 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