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
   -3.9159   -0.4573   -0.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119    0.1354    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -0.4201    0.9097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0557   -0.0494    0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199    0.7822   -0.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495   -0.6262    1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014   -0.1296    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2677   -0.4490   -0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733    0.2722   -0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    1.3510    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727    1.3676    1.3475 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5127   -1.3758   -1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7582   -0.0369   -1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8611    1.0450    0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -0.4354    2.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016   -1.7209    0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -1.3613   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287    0.0349   -1.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3783    2.0736    0.2401 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