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
    3.0638    0.3150   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976   -0.4090    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610   -0.2435    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1362    0.6814   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2532    0.7995   -0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307   -0.0383   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.9795    0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924   -1.0533    0.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8146    0.0454   -0.1419 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1230    0.1717   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7123    1.0756   -1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -1.1695    0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    1.3310   -1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    1.5281   -1.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674   -1.6535    1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3809   -1.7881    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2413    1.3870   -0.3186 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