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
   -3.7924   -0.9446    0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726   -1.3296    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -0.5907    0.5774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    0.6796    0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691    1.3051   -0.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.4601    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    0.6389   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    0.9048    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -0.0219    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676   -1.2544   -0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2939   -1.0504   -0.6665 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480   -1.6452    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0967    0.0482    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4419   -2.3763    0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314    2.1193   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085    2.1223    0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7127    1.9401    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059    0.1307    0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699   -2.1361   -0.6091 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