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
3.5595 0.3865 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6761 -0.5990 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5407 -0.7491 -0.8583 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1312 -0.3327 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0081 -1.2815 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3144 -0.9672 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7371 0.3269 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8973 1.3143 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6033 0.9601 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2696 0.5063 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5921 1.0906 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6784 -1.2836 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6494 -2.2871 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9935 -1.7451 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7708 0.5647 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2641 2.3376 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0527 1.7582 -0.8631 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