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
   -3.0171    0.3004   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0476   -0.1509   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -0.2836   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486    0.0743    0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476   -0.0469    1.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019   -0.5338    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6228   -0.9081   -0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230   -0.7786   -1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900   -0.6994    1.1178 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9746    0.6325    0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0218    0.3629   -0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502   -0.4500   -1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.4666    1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    0.2517    2.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -1.2929   -1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -1.0495   -2.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5040   -0.7199    0.0539 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