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
    4.0336    0.7168    0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2073    1.0783   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514    0.1957   -0.7947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9821    0.0858   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.8204    0.6801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423   -0.8471   -0.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3156   -0.7217   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    0.1059   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4278    0.0316    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3845   -0.8686    1.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8084   -1.6415    1.3781 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    1.4571    1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9741   -0.2804    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    2.0631   -0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349   -1.8820   -0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205   -0.7153   -1.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660    0.8160   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3576    0.6662    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1073   -1.0804    2.3622 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