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
    3.7668    0.1449    0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507    0.6081    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315   -0.2095   -0.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850    0.1564   -1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    1.3030   -1.5669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678   -0.8771   -1.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506   -0.4163   -0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494    0.2365    0.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959    0.4901    1.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7668    0.0763    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1313   -0.7001   -0.9576 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -0.8417    1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5705    0.7971    1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9046    1.6225   -0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871   -0.7375   -2.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0843   -1.8717   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595    0.5428    1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145    1.0234    2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8223    0.1592    0.8261 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