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
   -3.9157   -1.0958   -0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259    0.1053   -0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736    0.5709    0.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    0.3786   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7707   -0.2438   -1.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0699    0.8837    0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3879    0.5456    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980   -0.5013    0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744   -0.5674   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7096    0.4775   -1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2855    1.5985   -0.8742 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7231   -1.4578   -0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5240   -1.7268    0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8406    0.7205   -1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0271    1.9840    0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204    0.4264    1.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8844   -1.3506    1.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973   -1.4197   -0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5624    0.6724   -1.6545 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