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
    3.5134    0.7830    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -0.4995    0.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -1.1278    0.5091 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790   -0.5736    0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527    0.6695    0.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -1.3710   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.4602   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    0.0206    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.8456   -0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997    1.1868   -1.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    0.2758   -2.1638 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772    1.1170    1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    1.5308    0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1532   -1.2029    1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1318   -1.8767   -1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -2.1222    0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3057   -0.3303    1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0567    1.2704    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326    1.8646   -2.3161 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