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
    3.5853    0.5035    1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182   -0.4869    0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2838   -0.9379   -0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471   -0.4133   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672    0.5769    0.6205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -1.0006   -0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560   -0.2321   -0.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2693   -0.3808    0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733    0.4700    0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4630    1.4834   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906    1.2065   -1.3796 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939    0.7379    1.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    1.1802    1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3322   -1.0627    0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501   -2.0541   -0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0294   -0.9604   -1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0737   -1.2398    1.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0372    0.3649    1.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1292    2.2451   -0.4142 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