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
    3.8854    1.3060   -0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373    0.9040    0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698   -0.1729    0.5277 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155   -0.0709    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472    1.0620    0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265   -1.2541    0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.8384   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -0.4368    0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410   -0.1043    0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6417   -0.1685   -1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0144   -0.7448   -1.6190 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.8075   -1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5563    2.1477   -0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991    1.4500    1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166   -2.0179   -0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231   -1.7418    1.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338   -0.4075    1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3253    0.2368    0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4778    0.0438   -1.6482 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