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
   -3.0893   -0.3404    0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1160    0.4781    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155    0.2089    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    1.1317    0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914    0.8906    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085   -0.2448   -0.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728   -1.1768   -0.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2864   -0.9366   -0.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7294   -0.5582   -0.7581 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1231   -0.0746    0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178   -1.2930   -0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3906    1.4118    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079    2.0316    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    1.6478    0.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399   -2.1076   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882   -1.6857   -0.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4518    0.6173   -0.9913 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