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
   -3.8828   -0.9433   -0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    0.1735   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653    0.7201   -0.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0182    0.3832   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602   -0.4326    0.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1801    0.9974   -0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356    0.5106   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087   -0.5779   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830   -0.8208    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337   -0.0151    1.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570    1.2375    1.3637 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7720   -1.3885   -0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3858   -1.4298   -1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8821    0.6929    0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0893    2.1085   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184    0.8118   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -1.2154   -1.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754   -1.7035    0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    0.0234    2.1474 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