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
    3.0320   -0.7332   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222    0.2708    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7678    0.2089    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694   -0.9067   -0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.8927   -0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547    0.2288   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3513    1.3465    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    1.3262    0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8475    0.2480   -0.1722 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014   -1.6697   -0.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0939   -0.6862   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    1.1898    0.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003   -1.8068   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -1.7734   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806    2.2487    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867    2.2136    0.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3998   -0.8124    0.5874 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