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
    3.6323    0.7305   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783   -0.1127    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2967   -0.5495    0.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -0.2305    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    0.5734   -0.5303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1756   -0.8132    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998   -0.2657    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464   -0.7171   -0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2266   -0.0231   -0.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5307    1.1056   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2576    1.2083    0.9679 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8327    1.1935   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6363    1.0082   -1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4385   -0.4888    0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.5709    2.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1615   -1.8948    0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8327   -1.6503   -1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034   -0.3166   -1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3562    1.8138   -0.3805 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