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
   -3.0327    0.3232    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -0.4995   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7007   -0.2976   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1543   -1.2485   -0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -1.0505   -0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0302    0.0487    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1507    0.9689    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    0.8081    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    0.3278    0.1747 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    1.2179    0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103    0.1211    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4637   -1.4116   -0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2776   -2.1029   -1.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1942   -1.7923   -1.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153    1.8530    1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479    1.5598    0.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2121    1.1744   -0.8582 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