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
3.3313 0.7870 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7062 -0.3155 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5643 -1.2099 0.6123 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0979 -0.6098 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6224 0.4448 1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 0.8505 0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7124 0.2751 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1775 -0.7709 -0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8728 -1.2074 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0187 1.3126 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1462 1.1614 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8954 -0.6889 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0155 0.9202 1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 1.6743 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7182 0.6416 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7548 -1.2521 -1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4449 -2.0129 -1.1808 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