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
3.0385 0.6448 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6227 -0.6125 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6164 -1.2138 -0.7908 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0474 -0.5694 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9570 -1.3004 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1975 -0.7648 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5874 0.4574 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6529 1.1597 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3812 0.6608 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 1.3083 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6418 0.9350 1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 -1.3412 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 -2.2481 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9274 -1.3206 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5764 0.8681 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8904 2.1314 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3348 1.2053 -1.6128 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