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
   -3.0935    0.0884   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -0.7130    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910   -0.3862    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936   -1.2894    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278   -1.0644    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    0.1547   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1022    1.0999   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566    0.8327   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866    0.5620   -0.3305 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -0.2129   -0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128    1.0578   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433   -1.6892    0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0412   -2.2432    0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892   -1.7723    0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3674    2.0627   -0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9869    1.5894   -0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9349    1.9227   -0.5537 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