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
    3.9147    0.9048   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810   -0.2157    0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.8217   -0.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0274   -0.4886   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541    0.3753    0.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1514   -1.1018   -0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3930   -0.5779   -0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1656    0.5108   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2812    0.8031    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800    0.0287    1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3524   -1.2128    1.1726 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    1.3655   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7315    1.3725    0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447   -0.6879    1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519   -2.2180   -0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638   -0.8682   -1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    1.1076   -1.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.6872   -0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5732    0.0371    1.8084 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