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
   -2.9272   -1.0056    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1637   -0.1232   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7643    0.0848   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531    1.0419   -0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2937    1.2661   -0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9589    0.5189    0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678   -0.4299    0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009   -0.6550    0.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    0.7571    0.5996 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5294   -1.6499    0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9753   -1.1355   -0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6726    0.4921   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168    1.6629   -1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    2.0183   -1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -1.0246    1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6026   -1.4232    1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466   -0.3953    0.3368 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