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
    3.4714    0.1865    0.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161    0.3204   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330    1.4014   -0.1399 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2286    0.5475   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036   -0.8274   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320   -1.4375   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002   -0.7078   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876    0.6643   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3763    1.3168   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397   -0.4752    0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803    0.7253    1.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9735   -0.2462   -1.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6325   -1.3988   -0.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611   -2.5223   -0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6474   -1.2232   -0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4846    1.2628   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251    2.4135   -0.0959 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