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
   -3.0198    0.4324   -0.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273   -0.0308    0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770   -0.0886    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1013    0.3267   -0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    0.2351   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0486   -0.2691    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717   -0.6874    1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5980    1.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390   -0.3795   -0.0685 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0834    0.4555   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478    0.7966   -1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -0.3846    1.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614    0.7254   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    0.5653   -1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9726   -1.0869    1.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -0.9302    2.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    0.9181   -0.1739 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