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
    4.0035    0.3420   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2649   -0.3418    0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -1.1087    0.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9522   -0.5379    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8482    0.6881    0.4746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649   -1.3007   -0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.3642   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969   -0.0755    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2684    0.8168    0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379    1.4019   -0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    0.6690   -1.5943 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358    0.9381    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    0.3147   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989   -0.3049    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -2.2133    0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1061   -1.5785   -1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841   -0.5963    1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0214    1.0962    1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0516    2.1550   -1.1090 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