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
   -2.9784    0.5094    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2115   -0.0861   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7703   -0.0496   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0365   -0.7116   -1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -0.7130   -1.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597   -0.0770   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142    0.5764    0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742    0.5962    0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8461   -0.0914   -0.1189 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0809    0.4917    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5451    1.0461    1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6969   -0.6075   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805   -1.2200   -1.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9028   -1.2345   -1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678    1.0868    1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5965    1.1283    1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458   -0.6440    1.1255 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