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
   -3.1711    0.3320    1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7452    0.4216    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    0.1001   -0.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -1.1389   -0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211   -2.0938   -0.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   -1.4149   -1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942   -0.3357   -0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214   -0.1811    0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    0.9094    0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7631    1.8365   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    1.0893   -1.4485 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5854    0.0126    2.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2005    0.5994    1.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3918    0.7532   -0.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443   -2.3513   -0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5206   -1.4532   -2.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970   -0.9773    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026    1.1105    1.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2961    2.7816   -0.2337 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