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
   -3.0800   -0.3544   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1106    0.2562    0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093    0.1857    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436    0.8671    0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    0.8140    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908    0.0662   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433   -0.6116   -1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3182   -0.5632   -0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7426   -0.0090   -0.8470 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260   -0.9727   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1022   -0.2189    0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.8696    1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007    1.4589    1.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202    1.3647    1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939   -1.1859   -1.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117   -1.1336   -1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164   -0.8333    0.0627 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