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
   -3.0562   -0.4992   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    0.4251    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7758    0.2473    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1730   -0.8693   -0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132   -0.9755   -0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516    0.0441   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687    1.1702    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099    1.2714    0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8300   -0.1019   -0.3921 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1376   -0.3762    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032   -1.4252   -0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718    1.3425    0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7861   -1.6972   -0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709   -1.8624   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1376    1.9789    0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    2.1719    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790   -0.8445    0.7384 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