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
   -3.8544    1.1845   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3243    0.2529    0.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3704   -0.6291    0.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153   -0.3304    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303    0.7935    0.8643 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0247   -1.2401   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3392   -0.6174    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174   -0.6433    1.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3497    0.0564    0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5992    0.7981   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0986    0.4496   -1.1295 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5427    1.2737   -1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5980    1.8723    0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6199    0.1430    1.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455   -2.2170    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0893   -1.3950   -1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922   -1.2656    1.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1608    0.0934    1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4082    1.4206   -0.4737 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