Monomers

3-Vinylthiophene

Identifiers

IUPAC name
3-ethenylthiophene
InchI
InChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2
InchI Key
BOJMHHBWYPDQQH-UHFFFAOYSA-N
SMILES
C=Cc1cscc1
Canonical SMILES
C=CC1=CSC=C1
Isomeric SMILES
C=CC1=CSC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H6S
Heavy Atom Count
7
Molecular Weight
110.181
Exact Molecular Weight
110.019
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.3911
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.0023   -0.7875    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270    0.2926   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546    0.3702   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613    1.5554   -0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    1.2115   -0.4881 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256   -0.4262    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9029   -0.5981    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0843   -0.9102    0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298   -1.6293    0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0456    1.1064   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633    2.5133   -0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596   -1.1073    0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.5909    0.6036 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  1  0
  6  7  2  0
  7  3  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  6 12  1  0
  7 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers