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
   -2.9615   -0.7616    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967    0.2463    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633    0.2110    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1284   -0.9034   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453   -0.9053   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142    0.1951   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733    1.2971    0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0233    1.3274    0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030    0.1440   -0.5283 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -0.6694    0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145   -1.6973   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    1.1619    0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881   -1.8255   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7158   -1.8231   -0.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714    2.1717    0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038    2.1990    0.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -0.3679    0.6696 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