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
   -2.9021    0.9669    0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2349   -0.0755    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7845   -0.1603    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0496    0.8835    0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243    0.7604    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112   -0.3962   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1742   -1.4611   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1877   -1.3401   -0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914   -0.5590   -0.3848 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3701    1.8470    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9755    0.9622    0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8100   -0.9616   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3803    1.8031    0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    1.5814    0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919   -2.3877   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405   -2.1635   -0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3728    0.7005   -0.6004 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