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
   -2.9884   -0.5693   -0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1835    0.4159    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7440    0.2949    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753    1.3874    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4386    1.2830    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306    0.0948   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   -0.9678   -0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867   -0.9110   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187   -0.0448   -0.1731 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766   -0.3862   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355   -1.5460   -0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005    1.3722    0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301    2.3030    0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612    2.1408    0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691   -1.9113   -0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355   -1.8110   -0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2747   -1.1445    0.5753 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