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

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
    3.0570   -0.2351    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0188   -0.9193   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760   -0.3571   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3757   -1.1734   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -0.7060   -0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879    0.6113   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8788    1.4465    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129    0.9531    0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5406    1.2660   -0.4055 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -0.7159    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534    0.8012    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575   -1.9633   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.2110   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932   -1.3564   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658    2.4960    0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    1.6135    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4881    0.4499    0.1953 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