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
   -4.5165   -0.2475    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630   -0.0058    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468   -0.2641   -0.3834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158   -0.0365   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    0.4282    1.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821   -0.3177   -1.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990    0.0172   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827   -0.6649    0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5179   -0.0400    0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    1.2242    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3274    1.6338   -0.5735 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7469   -0.6426   -0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3476   -0.0582    0.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0642    0.3861    1.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0081    0.2987   -1.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246   -1.3709   -1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -1.7171    0.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3051   -0.5268    1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6413    1.9038    0.5917 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