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
   -3.4692    0.7219    0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5117   -0.1114    1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937   -0.0514    0.3752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067   -0.8884   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969   -1.6845   -1.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795   -0.8515   -1.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2986   -0.4180   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930    0.8808   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442    1.0373    0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099   -0.0679    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535   -1.4388    0.2359 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4137    0.6990    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153    1.4583   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955   -0.8051    1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4219   -1.8953   -1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746   -0.1489   -2.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1004    1.7192   -0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1291    2.0645    0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2981   -0.2197    1.6195 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