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
   -3.0350   -0.5591    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1726    0.3994    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7627    0.1698    0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1521    1.2240    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028    1.0777    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -0.1329   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1506   -1.1799   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247   -1.0329   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772   -0.3598   -0.5798 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7693   -1.5491   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896   -0.3663    0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.3757    0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    2.1754    0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698    1.9046    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630   -2.1433   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649   -1.8992   -0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    0.8960   -0.8738 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