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
   -2.9688   -0.1049    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0660   -0.8458    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117   -0.3643   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2371   -1.1812   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -0.7258   -0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    0.5279   -0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9879    1.3168    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218    0.8794    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084    1.1029   -0.7110 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090    0.8833    1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9932   -0.4938    0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3258   -1.8516   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906   -2.1603   -0.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2679   -1.3582   -1.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748    2.3227    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036    1.5790    0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4672    0.4739    0.2090 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