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
    4.1553    0.7995   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1338   -0.0099   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494    0.3197    0.6227 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.5544    0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305   -1.6026   -0.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2293   -0.3047    1.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141   -0.0297    0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2835   -0.8074   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.2729   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792    1.1242   -0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1753    1.6312    0.4239 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9772    0.5339   -0.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524    1.7378    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1607   -0.9534   -0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762   -1.1854    2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114    0.5709    2.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0516   -1.9146   -0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360   -0.8170   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2980    1.7348   -1.0670 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