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
3.3174 0.0955 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6888 -0.1860 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4184 -1.4320 -0.4300 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1846 -0.6325 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3297 -1.4228 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5275 -0.7842 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6409 0.5809 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5026 1.3382 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2618 0.7312 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 -0.4147 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0912 0.8542 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9510 0.3434 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2338 -2.4972 -0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4203 -1.4016 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5896 1.0814 0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5218 2.4281 0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6598 1.3181 -0.0457 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