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
   -2.7464    1.3843   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0601    0.3757   -0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192    0.0217   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049   -1.0596   -0.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1718   -1.4567   -0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8468   -0.7336    0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    0.3393    1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0687    0.7477    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037   -1.2345    0.9487 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7592    1.6134   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3794    2.0494    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743   -0.2075   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -1.6168   -1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6451   -2.3000   -0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216    0.9151    1.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5085    1.6023    1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4720   -0.4401    0.3345 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