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
   -2.2840    0.0771    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.2706   -0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -0.0230   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    0.5479    1.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666    0.6517    1.4517 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433   -0.1199   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2502   -0.3544   -0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -0.0903   -0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2126    0.5337    1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515   -0.7379   -1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794    0.9182    1.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609   -0.2948   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -0.8376   -1.7220 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