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
    4.4990    0.3627   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332    0.6999   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -0.2672   -0.0498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183    0.0933   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6404    1.2769   -0.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523   -0.9862    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405   -0.5601    0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3104   -0.0935    1.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675    0.2151    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9372    0.0481   -0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273   -0.5867   -1.3207 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719   -0.6567   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2663    1.0902   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704    1.7295   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703   -1.4410    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1474   -1.7870   -0.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733    0.0364    2.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3321    0.6118    1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8502    0.2146   -1.0882 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