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
    3.0595   -0.4966   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    0.2380    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7611    0.1549    0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703   -0.6826   -0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2151   -0.7260   -0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0388    0.0906   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557    0.9317    0.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0912    0.9808    0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8039    0.0385   -0.4664 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7605   -1.2051   -1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1356   -0.4401   -0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5799    0.9222    1.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -1.3371   -1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6142   -1.4177   -1.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    1.5714    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3685    1.6447    1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4892   -0.2677    0.7183 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