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
   -3.0392   -0.1628    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    0.5350   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7589    0.2289   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    1.0256   -0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725    0.7551   -0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0194   -0.3145   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   -1.1132    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2036   -0.8476    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7491   -0.7358   -0.2906 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963   -1.0401    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005    0.1035    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    1.4118   -0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3173    1.8864   -1.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1033    1.3881   -1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5423   -1.9817    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8499   -1.4935    1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5718    0.3548    0.0295 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