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
0.5671 1.2767 2.5873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 0.1555 2.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3152 -0.3824 1.5816 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6653 -0.3996 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7845 0.7384 -0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2880 0.7539 -2.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3254 -0.3643 -2.6715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4534 -1.5194 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0484 -1.4974 -0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3037 1.5920 3.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 1.9188 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0908 -0.4468 3.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2554 1.6338 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3715 1.6367 -2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7045 -0.3286 -3.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9376 -2.3893 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0339 -2.3780 -0.0218 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