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
    3.0017    0.5361    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    0.4316   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7591    0.1083   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -0.1140    1.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2165   -0.4187    1.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0031   -0.5083    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998   -0.2866   -1.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574    0.0123   -1.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462   -0.8957    0.2188 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6328    0.3823    1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.7782    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933    0.5955   -1.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242   -0.0550    2.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6960   -0.5938    2.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9903   -0.3483   -1.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    0.1923   -2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243    0.1837   -0.4129 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