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
   -2.8730    1.1418   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2432    0.0111   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7919   -0.1182   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006   -1.3710   -0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580   -1.5448   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938   -0.4889   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4325    0.7551    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471    0.9306    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529   -0.7761    0.0866 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051    2.0782    0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9591    1.1649   -0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8178   -0.8816   -0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8044   -2.2364   -0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050   -2.5229   -0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    1.6009    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050    1.8988    0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4571    0.3585   -0.4121 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