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
   -3.0191    0.3554   -0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021   -0.1462    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580   -0.1509    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274    0.3768   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623    0.3616   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565   -0.1861   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153   -0.7189    1.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -0.7101    1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   -0.2116   -0.1475 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1003    0.3378   -0.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290    0.7931   -1.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755   -0.5790    1.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067    0.8279   -1.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7120    0.7977   -1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0704   -1.1505    1.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4271   -1.1323    2.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    1.1353   -0.3463 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