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
   -4.0330   -0.3177   -0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2726   -0.9873   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.4291    0.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -0.2883    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188   -0.6974   -0.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    0.3207    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565    0.3325    0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0808    1.1310   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946    0.8035   -0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8418   -0.4036   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -1.0780    0.6852 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8349    0.7619   -1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7790   -0.7958   -1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4391   -2.0497   -0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954   -0.2991    2.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3179    1.3549    1.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212    2.1248   -0.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9299    1.4462   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769   -0.9295   -0.5515 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