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
   -3.0859    0.4577    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1558    0.2610   -0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498    0.0438   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504   -0.1544   -1.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965   -0.3656   -1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086   -0.3882    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333   -0.1944    1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    0.0178    1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7570   -0.6647    0.4678 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1295    0.6171    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8124    0.4630    1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707    0.2626   -1.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2396   -0.1394   -2.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -0.5185   -1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5019   -0.2070    2.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734    0.1658    1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116    0.3434   -0.1765 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