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
    3.0376    0.3796    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960   -0.2909   -0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567   -0.1651   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1784    0.6787    0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180    0.7769    0.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0562    0.0473   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4800   -0.8035   -0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1115   -0.8876   -1.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8395    0.1707    0.0524 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7376    1.0794    1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1113    0.2530    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789   -0.9726   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7672    1.2944    1.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802    1.4335    1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484   -1.3776   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314   -1.5486   -1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1614   -0.0673    1.4209 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