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
3.5425 -0.6419 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5644 -0.5581 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5630 0.9243 0.8016 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1092 0.5593 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0518 1.5898 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3508 1.3082 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7339 0.0498 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 -0.9674 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4848 -0.6945 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1318 -1.5447 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7838 0.1914 -0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3488 -1.4088 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7788 2.5885 0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0844 2.1273 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7680 -0.1196 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0830 -1.9482 -0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2935 -1.4552 -0.1482 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