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
   -3.0725    0.3977    0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1405    0.3408   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7274    0.0808   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598   -0.1305    0.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867   -0.3812    1.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980   -0.4219    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324   -0.2079   -1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882    0.0402   -1.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7434   -0.7393    0.4857 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8246    0.2477    1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0851    0.5948    0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    0.5054   -1.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169   -0.1125    1.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4398   -0.5473    2.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143   -0.2325   -1.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1846    0.2080   -2.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625    0.3576   -0.0609 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