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
    3.1326   -0.0003    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0991   -0.7764    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7113   -0.3414    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3211   -1.2506   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6428   -0.8730   -0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0104    0.4499   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874    1.3467    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353    0.9784    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7052    0.9949   -0.1130 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -0.3452    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0038    1.0655    0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -1.8339    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316   -2.3003   -0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331   -1.6131   -0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2805    2.3999    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007    1.7255    0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    0.3734   -1.1641 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