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
   -3.1300    0.0552   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990   -0.7474   -0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157   -0.3139   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507   -1.1784   -0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -0.8265   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9658    0.4539    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    1.3390    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3940    0.9584    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    0.9006    0.5525 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1166   -0.3377   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0701    1.0790    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -1.7833   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329   -2.1718   -0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4802   -1.5299   -0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736    2.3531    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1685    1.6792    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5344    0.0706   -0.2041 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