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
    3.8995   -0.8274   -0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2111    0.2725   -0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213    0.7653    0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843    0.4255    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332   -0.3641   -0.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627    0.9632    1.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3153    0.4706    0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668   -0.5958    1.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551   -0.7811    1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8608    0.1061    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5723    1.3139   -0.1553 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5729   -1.1649   -1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7852   -1.3962    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337    0.8372   -1.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3815    0.7068    2.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    2.0844    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200   -1.3084    2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8488   -1.6635    1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8653    0.1560   -0.2030 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