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
    3.0051    0.3458    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869    0.8051   -0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7403    0.2768   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014    0.8104   -1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5063    0.3791   -1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434   -0.6192   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0439   -1.1630    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2809   -0.7156    0.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -1.1981   -0.2749 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.7603    0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7907   -0.4342    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728    1.5964   -0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1368    1.5929   -1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    0.8223   -1.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3843   -1.9442    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590   -1.1643    1.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4326   -0.1507    0.2583 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