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
3.2089 -0.2934 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5313 -1.3160 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9813 -1.8472 0.3476 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 -0.5998 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0853 0.6555 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1364 1.5614 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 1.2136 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5946 -0.0602 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5360 -0.9204 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 0.0200 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8222 0.2464 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9548 -1.8341 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 0.9209 -0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0061 2.5536 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2223 1.9145 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5880 -0.2940 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7248 -1.9208 1.1508 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