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
    3.0567    0.5894    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -0.3700   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7707   -0.2578   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429   -1.3359   -0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186   -1.2409   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0582   -0.0780    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615    1.0005    0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1346    0.8990    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335   -0.0258    0.1603 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153    0.3865    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794    1.5420    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -1.3310   -0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523   -2.2474   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0397   -2.0959   -0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405    1.9207    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7185    1.7824    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3648    0.8623   -0.8044 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