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
    4.0794    0.3209   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2899   -0.5517   -0.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960   -1.0799   -0.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -0.4319   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9087    0.6132   -0.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.0181    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033   -0.2021    0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -0.2461   -0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3874    0.6295   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3794    1.5324    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320    1.1758    1.3640 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    0.6248    0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9176    0.7186   -0.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4490   -0.9026   -1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0316   -1.1551    1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802   -2.0073    0.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069   -1.0280   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2186    0.6360   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1501    2.3716    0.6713 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