Monomers

4-Ethenylbenzene-1-thiol

Identifiers

IUPAC name
4-ethenylbenzenethiol
InchI
InChI=1S/C8H8S/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InchI Key
KCCWFTFCEHVSTM-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)S
Canonical SMILES
C=CC1=CC=C(C=C1)S
Isomeric SMILES
C=CC1=CC=C(C=C1)S
Resources
cid=

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
2.6183
H Bond Acceptors
1
H Bond Donors
1
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
   -3.0721   -0.1375   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567   -0.5628    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561   -0.1935    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -0.6943    1.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063   -0.3973    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    0.4357    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    0.9388   -0.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239    0.6342   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7514    0.8276    0.0760 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1174   -0.4141   -0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898    0.5135   -1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589   -1.2138    1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2279   -1.3500    1.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183   -0.7812    1.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102    1.5881   -1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052    1.0415   -1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172   -0.2349   -0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 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