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
3.5865 -0.5764 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7156 0.3647 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 0.0697 -1.4580 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1314 0.0583 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8611 1.2280 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1888 1.2348 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7970 0.0802 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 -1.0962 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7420 -1.0936 -0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 -1.5024 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3293 -0.4662 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 1.2983 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3740 2.1322 -1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7493 2.1585 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8388 0.1184 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5586 -1.9997 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1882 -2.0086 -0.4812 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