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
   -3.9163   -1.0486    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3913    0.0915   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2996    0.6083    0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115    0.2784    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578   -0.4944   -0.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611    0.7962    0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.2845    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847    0.8187   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    0.1801   -1.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220   -0.9966   -0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2585   -1.1778    0.8100 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986   -1.5495    1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7578   -1.4500   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007    0.6193   -0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210    1.9052    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825    0.5118    2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462    1.7980   -1.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9896    0.5367   -1.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579   -1.7118   -0.5050 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