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
   -2.9051    0.0227   -1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    0.3410    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865    0.1123    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353   -0.4527   -0.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3458   -0.6439   -0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083   -0.2806    0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2535    0.2891    1.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    0.4792    1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7693   -0.5498    0.5876 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    0.1933   -1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4486   -0.4313   -1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791    0.7997    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5026   -0.7564   -1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -1.0941   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554    0.5873    2.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    0.9258    2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289    0.4585   -0.1567 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