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
   -3.9018    1.1557   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949    0.2451    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3410   -0.5899    0.1021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0043   -0.2614    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359    0.8175    0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0362   -1.1862   -0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152   -0.5721   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.6426    0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4038    0.0099    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487    0.7535   -0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0668    0.4978   -1.6050 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6501    1.2488   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6381    1.7960    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    0.1421    1.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628   -1.3666   -1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127   -2.1669   -0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.2686    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2313    0.0191    1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445    1.3687   -1.0239 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