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
   -3.0561    0.5435    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547    0.0556    0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7126   -0.0494    0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650    0.3482   -0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    0.2262   -1.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471   -0.3001   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6099   -0.7024    0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226   -0.5834    1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279   -0.4547   -1.2384 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0671    0.6298    0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9465    0.8992   -0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2269   -0.2937    1.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201    0.7696   -1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2059    0.5422   -2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869   -1.1256    1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0495   -0.8980    2.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614    0.3931   -0.4558 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