Monomers

2-Thiopheneacetic acid vinyl ester

Identifiers

IUPAC name
ethenyl 2-thiophen-2-ylacetate
InchI
InChI=1S/C8H8O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h2-5H,1,6H2
InchI Key
IFMUNEPYWVGZCU-UHFFFAOYSA-N
SMILES
C=COC(=O)Cc1cccs1
Canonical SMILES
C=COC(=O)CC1=CC=CS1
Isomeric SMILES
C=COC(=O)CC1=CC=CS1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H8O2S
Heavy Atom Count
11
Molecular Weight
168.217
Exact Molecular Weight
168.0245
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9773
H Bond Acceptors
3
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.7457   -2.6127    1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312   -1.4990    1.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670   -0.4694    0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219    0.5126    0.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    0.3811    1.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    1.6593   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044    1.5547   -0.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    1.4548   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8360    1.4066   -0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6819    1.4663   -2.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274    1.5892   -2.4672 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -2.7884    0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.4333    1.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333   -1.4070    1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920    2.6096    0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5739    1.7295   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    1.3984    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620    1.3250   -0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4985    1.4429   -3.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  6 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers