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
   -2.9918    0.5146    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2229    0.1857   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7716   -0.0085   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1033    0.1429    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822   -0.0482    1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203   -0.3937   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509   -0.5445   -1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133   -0.3548   -1.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7918   -0.6316    0.0597 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6013    0.6647    1.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0466    0.6405    0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    0.0476   -1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6178    0.4114    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951    0.0740    1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190   -0.8143   -2.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -0.4772   -2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4258    0.5914    0.3610 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