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
    3.0669   -0.3937   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    0.1412    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7689    0.1122    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -0.4551   -0.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -0.4513   -1.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    0.1253   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082    0.6992    0.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1532    0.6929    1.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7877    0.1181   -0.6135 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8185   -0.8714   -1.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1191   -0.3547   -0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5638    0.6068    1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8834   -0.9199   -1.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5370   -0.9086   -2.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2173    1.1503    1.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645    1.1418    1.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5210   -0.4330    0.4609 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