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
   -2.9441    0.8559   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2120   -0.1408   -0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840   -0.1680   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0727    0.8176    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3077    0.7477    0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9979   -0.3575    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3266   -1.3699   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0230   -1.2699   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666   -0.4265    0.5625 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062    1.6844    0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9992    0.8543   -0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764   -0.9676   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    1.6914    0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109    1.5543    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852   -2.2337   -0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0651   -1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2888    0.7933    0.0374 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