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
   -3.0258   -0.5614    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1983    0.3987   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623    0.2310   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1116   -0.9006    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865   -0.9766    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381    0.0930   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4224    1.2499   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    1.2989   -0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8282   -0.0340   -0.0066 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1109   -0.4323    0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -1.5269    0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290    1.3273   -0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158   -1.7471    0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436   -1.8901    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610    2.0638   -0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340    2.2094   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643   -0.8031    1.0674 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