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
   -4.0098    0.1417   -0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2195   -0.8741   -0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2453   -0.8463    0.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438   -0.4364    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472   -0.0721   -1.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868   -0.4126    1.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    0.0663    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0267    1.2061    0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    1.2377   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904    0.0701   -0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949   -1.1466   -0.0193 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7477    0.0671   -1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9095    1.0510   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3242   -1.7819   -1.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -1.3639    1.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    0.2800    1.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    2.1688    0.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8516    2.1762   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202   -0.1881   -0.9104 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