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
   -3.0371    0.5062   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1709   -0.4559    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7521   -0.1930    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543    1.0385   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265    1.2321   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899    0.1842   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4971   -1.0615    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358   -1.2321    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    0.4354   -0.1825 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1062    0.2359    0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101    1.5025   -0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4909   -1.4672    0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    1.8911   -0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    2.2222   -0.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1998   -1.8865    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2113   -2.2292    0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515   -0.7225    0.1370 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