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
    2.9764   -0.1350    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702    0.3479   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    0.1318   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    0.6773   -1.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4040    0.4707   -1.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108   -0.2640   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2144   -0.7917    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695   -0.6104    0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7796   -0.4645   -0.4263 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0423    0.0727    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6863   -0.7235    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639    0.9522   -1.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4389    1.2551   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9859    0.9148   -2.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6757   -1.3642    1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590   -1.0626    1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4107    0.5935    0.2964 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