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
   -3.0512   -0.0974    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0672    0.7458   -0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    0.2988   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3330   -1.0238    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0024   -1.3951    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9634   -0.4176   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074    0.9138   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810    1.2637   -0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827   -0.8786   -0.1340 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344   -1.1547    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1032    0.2475   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2829    1.7902   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915   -1.8170    0.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052   -2.4275    0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    1.6911   -0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086    2.3305   -0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267   -0.0698    0.8393 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