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
   -2.9440   -0.7865   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2415    0.2835    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    0.2389    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536   -0.9122   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3226   -0.9358   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0371    0.2076   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3181    1.3594    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422    1.4098    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257    0.2709   -0.1544 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5822   -1.7518   -0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0400   -0.6797   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906    1.2378    0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.8351   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135   -1.8642   -0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9183    2.2598    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5723    2.3264    0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472   -0.8287    0.5728 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