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
3.7250 0.8295 0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6258 0.1315 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1605 0.8744 1.2407 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3272 0.2629 0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8400 0.8813 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9870 0.4141 -1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6651 -0.6882 -0.8143 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1518 -1.3064 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0038 -0.8389 0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7701 1.8923 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6120 0.3557 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6259 -0.9214 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3127 1.7442 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3846 0.9037 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5585 -1.0236 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6875 -2.1849 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6011 -1.3263 1.8088 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