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
3.5412 -1.0486 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5274 -0.7510 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7341 0.8507 -0.5786 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0301 0.6244 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8428 1.7369 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2105 1.5615 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7481 0.2885 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9547 -0.8406 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5941 -0.6395 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 -2.0336 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9454 -0.3457 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1383 -1.4699 -1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4624 2.7560 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 2.4541 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8187 0.1760 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4007 -1.8232 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0542 -1.4963 -0.4292 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