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
   -3.0698    0.0934    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -0.5692   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424   -0.2422   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2143    0.7976    0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666    1.0398    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    0.2699   -0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059   -0.7678   -0.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1516   -1.0121   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7788    0.6697   -0.2309 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587    0.9302    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164   -0.1984    0.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4988   -1.4114   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    1.4415    1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    1.8675    1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1942   -1.3643   -1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615   -1.8379   -1.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772    0.2938    1.0454 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