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
    2.9903    0.8145    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794    0.0445   -0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.0898   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1319    0.5674    0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    0.4058    1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0082   -0.4273    0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792   -1.0915   -0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361   -0.9344   -1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7439   -0.6280    0.5768 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549    1.3993    0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0607    0.9016   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816   -0.5112   -1.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7063    1.2359    1.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176    0.9353    1.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.7491   -1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426   -1.4657   -1.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.5926    0.6475 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