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
   -4.0324    0.2676    0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0974    0.2852   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -0.4953   -0.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979   -0.4676   -0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9634    0.2873   -1.9379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095   -1.3204   -0.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4603   -0.4736   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1261   -0.3270    0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.5829    0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4067    1.3481   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2127    0.7259   -1.3598 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8999   -0.3138    1.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9366    0.8555    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2072    0.8660   -1.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571   -1.8037   -1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1131   -1.9883    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622   -0.9658    1.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7096    0.7842    1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255    2.1527   -0.3067 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