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
3.8376 0.5164 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 0.0674 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2251 1.1899 -0.8326 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3036 0.4724 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 -0.2780 -1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2790 -0.8517 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7046 -0.6698 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9449 0.0807 1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7628 0.6318 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6517 -0.1772 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0759 1.5575 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4264 -0.9919 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7960 -0.4531 -2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8961 -1.4482 -1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6221 -1.0899 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.2204 2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1392 1.2234 1.6921 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