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
   -2.9960    0.0366    0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.0369   -0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524   -0.0373   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0022   -0.0319   -1.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833   -0.0994   -1.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -0.1747   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844   -0.1800    1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053   -0.1124    1.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8329   -0.2627   -0.0898 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6659   -0.0168    1.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0678    0.0927    0.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782    0.0945   -1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.0261   -2.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308   -0.0921   -2.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445   -0.2407    1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465   -0.1200    1.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2947    1.0810    0.0352 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